data_1wj4_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 1wj4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 102' ' ' THR . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 HG23 ' CE1' ' A' ' 99' ' ' TYR . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 85' ' ' LEU . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.447 ' CG2' HD21 ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' ' 108' ' ' LEU . 38.6 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' HIS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.579 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 HD11 ' CA ' ' A' ' 106' ' ' ALA . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 87' ' ' THR . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 113' ' ' THR . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 74' ' ' GLN . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' HIS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.567 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 101' ' ' ILE . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.547 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.547 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.562 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 113' ' ' THR . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 HG22 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.699 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.416 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 117' ' ' GLN . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.526 ' CE1' HD21 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE1' HG22 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.47 HD11 ' CA ' ' A' ' 106' ' ' ALA . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 104' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.484 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 23' ' ' LEU . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' ILE . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.2 tttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.592 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 97' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.496 HD12 ' CG2' ' A' ' 73' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.631 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.455 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.442 ' N ' HG13 ' A' ' 101' ' ' ILE . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.556 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' CZ ' HG22 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.556 ' CG2' ' CD2' ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 114' ' ' VAL . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 80' ' ' ASN . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.642 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.1 t30 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.642 ' N ' HD21 ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 1.3 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.563 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 15.6 p80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 95' ' ' SER . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.504 HG23 ' CZ ' ' A' ' 115' ' ' PHE . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 69' ' ' LEU . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.434 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' VAL . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.698 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.463 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.573 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 15.5 t60 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.703 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.528 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.528 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 116' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.548 ' CE1' HD22 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CZ ' HG22 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.478 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 104' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.488 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' MET . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CZ ' HG21 ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' GLU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 94' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 74' ' ' GLN . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.582 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.582 ' N ' HD21 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 117' ' ' GLN . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.406 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.485 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' THR . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.409 ' N ' HD11 ' A' ' 101' ' ' ILE . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.486 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.594 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 97' ' ' LEU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.415 ' C ' ' SG ' ' A' ' 109' ' ' CYS . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.55 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.55 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.1 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.707 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG1' HD21 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.444 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 117' ' ' GLN . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.487 HG22 ' CD2' ' A' ' 108' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.5 p80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' SER . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' THR . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 87' ' ' THR . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.594 ' CG2' ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.8 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 19' ' ' ASP . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' CG ' HG21 ' A' ' 59' ' ' THR . 5.7 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.548 ' CG2' ' CD2' ' A' ' 48' ' ' LEU . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.419 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.548 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.637 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 114' ' ' VAL . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 116' ' ' VAL . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 117' ' ' GLN . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 116' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.478 HG21 ' CD1' ' A' ' 108' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.679 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CE1' ' CD1' ' A' ' 66' ' ' LEU . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 97' ' ' LEU . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.486 ' CB ' HD23 ' A' ' 108' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.455 ' CG2' HD21 ' A' ' 69' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 84' ' ' GLU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.453 ' CE ' ' HD2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.695 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 74' ' ' GLN . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.535 ' CD2' ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.563 ' CE1' HD22 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CZ ' HG22 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.531 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 102' ' ' THR . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 113' ' ' THR . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.535 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.464 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' VAL . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.584 HG22 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 65' ' ' LYS . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.678 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' HD23 ' A' ' 85' ' ' LEU . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.601 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.478 ' CG2' HD22 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.454 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.504 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.504 ' CE2' ' O ' ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 19' ' ' ASP . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 97' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.602 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 116' ' ' VAL . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.551 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.532 ' CE1' HD21 ' A' ' 97' ' ' LEU . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.43 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.64 ' CG2' ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.64 ' CE1' ' CG2' ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' THR . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.594 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 97' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 48' ' ' LEU . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 HD21 ' CG2' ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.498 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.46 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 102' ' ' THR . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 69' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.455 ' NE2' ' OE2' ' A' ' 84' ' ' GLU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 2.3 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.586 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.492 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 48' ' ' LEU . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 85' ' ' LEU . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' H ' ' CG2' ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' ' HG2' ' A' ' 111' ' ' GLN . 4.1 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.708 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.607 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD2' ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 18.9 t60 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 85' ' ' LEU . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.51 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.49 ' CD2' HG22 ' A' ' 116' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.438 ' CG2' HD22 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.584 ' CD1' HD13 ' A' ' 66' ' ' LEU . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.58 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.58 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' N ' HD12 ' A' ' 101' ' ' ILE . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' MET . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.585 ' CZ ' HG22 ' A' ' 113' ' ' THR . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.49 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 114' ' ' VAL . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.619 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.619 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.516 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 74' ' ' GLN . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 73' ' ' VAL . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.628 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 97' ' ' LEU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 101' ' ' ILE . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 87' ' ' THR . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 49' ' ' ARG . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 78' ' ' TYR . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 69' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' CG2' HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 ' CA ' ' A' ' 106' ' ' ALA . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.542 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.465 ' CG ' HD11 ' A' ' 108' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.567 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.567 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 114' ' ' VAL . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 99' ' ' TYR . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.544 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.588 ' C ' ' CD ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.515 ' C ' ' OE1' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.578 ' CD2' ' OE1' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.693 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CE1' HG22 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' THR . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.455 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 113' ' ' THR . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.46 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 61' ' ' PRO . 2.5 mttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.603 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HA ' ' CG1' ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 72' ' ' HIS . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' N ' HD11 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' HD11 ' A' ' 69' ' ' LEU . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.52 ' CD2' HD21 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 101' ' ' ILE . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 87' ' ' THR . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.474 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.673 ' CG1' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.36 166.17 23.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.6 167.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -170.94 136.07 1.07 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.01 160.01 40.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.44 173.5 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 167.47 19.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 107.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 173.72 156.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.56 -145.46 4.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 34' ' ' VAL . 2.5 p -77.54 -153.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 9.9 p -158.94 118.1 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -122.78 169.48 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.25 -137.45 4.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mp 39.42 87.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.02 161.33 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.03 157.58 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 122.28 26.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.05 -172.63 25.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.85 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.445 1.761 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -106.88 148.35 28.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 102' ' ' THR . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG23 ' CE1' ' A' ' 99' ' ' TYR . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 85' ' ' LEU . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.447 ' CG2' HD21 ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.88 -50.02 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.0 p90 -178.88 135.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.04 158.69 98.8 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.987 0.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.85 107.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 107' ' ' GLY . 4.4 ttp-105 -128.27 127.06 42.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 16.6 mttt -87.29 95.53 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' ' 108' ' ' LEU . 38.6 mt -54.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LYS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 93' ' ' LYS . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 HD11 ' CA ' ' A' ' 106' ' ' ALA . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.449 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 87' ' ' THR . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 113' ' ' THR . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -101.99 144.74 30.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -152.58 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.16 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.05 87.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t 70.65 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.39 170.71 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -156.05 171.44 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.99 155.87 72.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 130.33 42.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 100.73 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.45 95.17 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.26 164.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.77 134.82 3.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 t -92.24 87.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.9 t 41.32 87.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.49 113.21 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.6 148.88 5.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.04 113.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.99 134.66 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -40.67 125.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 48.57 83.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.3 -143.18 7.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.97 8.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -61.22 169.68 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 74' ' ' GLN . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -97.65 -44.21 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.2 p90 -178.02 134.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.02 159.21 98.33 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' PRO . 0.9 OUTLIER -105.25 136.65 44.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' SER . 20.7 mttt -90.92 97.97 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.6 mt -53.23 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.567 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 101' ' ' ILE . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.547 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.547 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.562 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 113' ' ' THR . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -62.24 124.65 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.41 158.32 34.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 106.62 2.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -62.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 161.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 129.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -175.63 159.83 2.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.93 156.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 178.9 42.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.72 6.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.27 131.01 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 178.79 141.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' VAL . . . -161.12 99.42 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.01 78.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLY . 3.6 p -134.91 123.62 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -147.58 161.23 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.86 98.23 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.7 174.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -173.06 111.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -42.01 140.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -157.48 114.06 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.55 -140.36 5.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.1 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -95.46 156.36 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 HG22 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.699 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.425 ' CG1' HD13 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.416 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 117' ' ' GLN . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.9 t-20 -89.72 178.08 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 15.2 p90 -34.86 141.69 0.26 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -74.98 -43.06 0.73 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -104.2 145.01 30.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 11.0 mttt -107.79 126.98 53.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.65 96.24 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.526 ' CE1' HD21 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE1' HG22 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.47 HD11 ' CA ' ' A' ' 106' ' ' ALA . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 104' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.484 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' GLU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t -56.57 134.54 54.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.03 -146.05 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.53 7.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.8 p -137.9 173.49 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t 58.91 -91.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.69 159.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.17 170.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.24 154.51 14.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.9 127.9 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 23' ' ' LEU . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' ILE . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -167.77 109.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.87 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t0 64.54 125.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.84 159.15 28.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.5 t -94.72 84.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.12 115.78 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.8 73.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -90.17 -99.59 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' GLY . 9.4 mt 39.41 65.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.44 104.16 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 p -40.32 142.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -179.96 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.58 -155.88 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.82 8.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.2 tttp -74.28 161.83 29.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.592 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 97' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.496 HD12 ' CG2' ' A' ' 73' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.8 t-20 -77.05 174.78 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 21.0 p90 -31.91 138.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.01 -48.65 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.021 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.46 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -110.05 129.99 55.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 19.6 mttt -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 mt -49.01 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.631 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.455 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.442 ' N ' HG13 ' A' ' 101' ' ' ILE . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t -68.33 134.95 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.34 160.77 32.49 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.1 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.0 t 62.47 123.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -137.3 165.69 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.06 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.54 171.02 18.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.8 172.27 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.29 151.89 20.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.39 170.05 16.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.36 149.79 19.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.47 173.19 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -150.93 102.57 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.36 132.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.69 88.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.37 119.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -109.2 138.36 45.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.55 107.71 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 mt -98.01 122.28 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -139.31 142.63 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.15 113.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.62 126.97 24.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.0 -147.19 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.03 17.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -88.02 177.77 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.556 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' CZ ' HG22 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.556 ' CG2' ' CD2' ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 114' ' ' VAL . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 80' ' ' ASN . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.642 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.1 t30 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.642 ' N ' HD21 ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 1.3 p30 -53.12 161.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 39.8 p90 -29.5 136.82 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.02 -57.08 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.963 0.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.608 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 168.35 148.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.7 mtt-85 -147.3 107.17 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 31.6 mttt -69.39 85.08 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.76 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.563 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 15.6 p80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 95' ' ' SER . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.504 HG23 ' CZ ' ' A' ' 115' ' ' PHE . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 69' ' ' LEU . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.489 HG21 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.434 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -80.74 121.19 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.03 160.85 33.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 61.97 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.56 100.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -118.17 122.4 42.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.96 169.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.77 174.68 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.32 116.99 26.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.58 -179.64 4.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 61.35 -106.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.76 -178.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.24 84.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.87 -70.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.5 t -95.79 87.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.03 144.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -39.46 142.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -58.02 140.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 39' ' ' VAL . 7.1 p-10 -164.32 169.99 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 4.3 p 31.59 87.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.15 166.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.34 -133.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.95 25.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -54.12 173.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' VAL . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.698 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.463 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.573 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 103' ' ' LEU . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 64' ' ' ALA . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 15.5 t60 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.703 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.528 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 116' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 93' ' ' LYS . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -86.18 -50.62 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 46.6 p90 -178.25 134.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.02 158.73 98.8 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 107.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 96' ' ' HIS . 3.3 ttt180 -132.31 125.95 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.35 94.54 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt -49.25 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.548 ' CE1' HD22 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' CZ ' HG22 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 104' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.488 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.576 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' MET . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CZ ' HG21 ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' GLU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t -80.72 152.64 28.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -69.15 -147.41 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.81 4.7 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.1 p -83.52 169.73 15.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.7 p -115.38 133.27 56.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p 177.44 169.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.35 153.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.13 160.73 26.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.83 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.13 145.45 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -103.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.63 83.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.27 122.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.8 157.79 19.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -96.12 84.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.6 p -133.04 65.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -123.86 154.62 39.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.33 92.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.98 170.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.49 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -40.33 125.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -174.2 129.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.99 -177.93 3.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 177.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 94' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG23 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CE1' HG23 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 74' ' ' GLN . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.582 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.582 ' N ' HD21 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 117' ' ' GLN . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.593 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' CZ ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' PHE . 3.3 t-20 -84.57 -175.81 5.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.7 p90 -34.61 137.79 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.0 -43.98 0.62 Allowed 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.002 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER 169.21 54.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' CB ' ' OG1' ' A' ' 87' ' ' THR . 0.1 OUTLIER -70.46 152.26 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 7.8 mttp -125.3 151.2 46.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -123.74 87.34 2.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.406 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.485 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' THR . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.409 ' N ' HD11 ' A' ' 101' ' ' ILE . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 ' CG2' ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -78.13 170.32 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.22 -143.4 3.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.38 22.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.62 168.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 m 61.67 107.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.1 170.08 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -173.37 170.28 4.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.59 119.57 25.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.53 -179.51 6.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -126.56 150.55 48.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.13 173.86 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 61.89 158.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.06 147.24 4.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.4 t -96.3 83.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 9.3 p -123.52 66.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.29 104.05 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 39.45 -105.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' GLY . 10.4 mt 39.38 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -138.61 152.81 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -111.62 139.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.58 105.97 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.75 -152.33 5.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.68 2.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -67.28 163.81 19.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.577 HG23 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.577 ' CE1' HG23 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' N ' HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.486 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 89' ' ' PHE . 6.7 t-20 -87.84 174.91 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -31.88 139.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 -46.22 0.39 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.959 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.48 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -106.41 128.9 54.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 80.0 mttt -90.51 123.48 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.3 mt -81.47 83.44 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.594 ' CD2' ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 97' ' ' LEU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.451 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' C ' ' SG ' ' A' ' 109' ' ' CYS . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.55 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.55 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.06 110.48 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.73 -150.88 8.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -60.56 109.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 p -112.15 112.84 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -159.13 61.59 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -95.18 160.8 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.37 141.56 11.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.023 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 145.2 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.92 172.85 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.97 166.53 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -164.91 163.89 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.34 105.36 0.32 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.71 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.4 114.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.28 148.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.93 91.82 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.7 mt -90.22 136.8 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -56.85 111.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 2.9 t -85.61 79.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -178.77 148.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.81 -127.03 8.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.759 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.53 158.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 1.1 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.707 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG1' HD21 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 117' ' ' GLN . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD13 ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.487 HG22 ' CD2' ' A' ' 108' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -89.64 162.68 15.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 11.6 p90 -34.29 124.37 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.02 158.03 99.23 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.965 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -68.06 86.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' OG1' ' A' ' 87' ' ' THR . 0.0 OUTLIER -102.98 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -105.06 152.08 23.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.89 82.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.576 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.5 p80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' SER . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' THR . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 87' ' ' THR . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.594 ' CG2' ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 84' ' ' GLU . 5.8 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -98.31 161.95 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.83 157.16 28.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.9 p -150.42 120.12 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.35 171.48 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -155.83 172.39 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.0 mm? -98.62 132.16 24.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -74.99 176.34 10.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.09 127.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 19' ' ' ASP . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.11 82.71 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.76 138.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.7 117.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.84 147.14 5.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.7 t -94.62 85.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.82 139.45 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.15 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -168.8 -94.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.2 mt 39.59 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -40.38 108.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 1.2 p -42.93 117.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -76.18 78.92 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.21 -136.64 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -98.06 153.04 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' CG ' HG21 ' A' ' 59' ' ' THR . 5.7 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.548 ' CG2' ' CD2' ' A' ' 48' ' ' LEU . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.419 HG21 ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.548 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.637 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 114' ' ' VAL . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 116' ' ' VAL . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 117' ' ' GLN . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 116' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.478 HG21 ' CD1' ' A' ' 108' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.0 t-20 -86.07 158.67 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 13.6 p90 -36.56 126.42 0.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -74.94 158.97 98.65 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.01 -0.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -71.23 125.34 26.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -140.2 123.37 16.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' C ' HD21 ' A' ' 94' ' ' LEU . 18.7 mttt -83.4 138.13 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.679 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -101.07 84.36 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CE1' ' CD1' ' A' ' 66' ' ' LEU . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 97' ' ' LEU . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.486 ' CB ' HD23 ' A' ' 108' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.455 ' CG2' HD21 ' A' ' 69' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 84' ' ' GLU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t -60.02 128.92 39.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.06 -153.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.57 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.7 90.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.6 p -57.6 143.61 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -136.05 -58.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.53 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -42.45 122.52 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -164.9 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.91 142.55 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.58 136.0 36.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.61 151.27 50.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.06 171.88 13.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.45 -136.68 2.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -163.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -153.55 141.47 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.89 178.89 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.3 -129.3 5.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 pt -55.4 179.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.69 164.26 12.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.83 -63.79 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -172.1 118.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.46 160.6 9.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.13 13.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -55.28 175.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.453 ' CE ' ' HD2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.492 ' HG2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' CB ' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.695 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 74' ' ' GLN . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' CD2' ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -61.7 173.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 14.0 p90 -30.17 136.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 18.1 Cg_endo -75.09 -50.99 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.98 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 158.83 80.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -90.25 124.21 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -86.89 101.77 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.7 93.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.563 ' CE1' HD22 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CZ ' HG22 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.531 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 102' ' ' THR . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 113' ' ' THR . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -90.24 31.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.56 159.27 23.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -153.98 155.4 35.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.96 166.46 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.98 99.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -178.62 117.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.36 107.42 29.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.63 41.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.32 51.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.72 160.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.19 157.08 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.43 95.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' VAL . . . -118.46 -132.17 4.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.541 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 5.2 p 30.72 68.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.12 90.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.82 127.8 52.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.48 135.1 2.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -52.11 143.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.14 125.8 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -27.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -109.79 155.56 21.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.74 154.97 4.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.19 27.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 144.51 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.464 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' VAL . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.584 HG22 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 65' ' ' LYS . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.678 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' HD23 ' A' ' 85' ' ' LEU . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.601 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.478 ' CG2' HD22 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.8 t-20 -74.01 176.2 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -32.44 138.58 0.22 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 -47.33 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.043 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.24 98.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 133.46 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -82.0 117.64 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.7 mt -81.91 97.73 8.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.454 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.504 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.504 ' CE2' ' O ' ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -82.86 173.62 11.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 -145.91 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 142.06 27.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.44 -56.45 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.1 p -91.37 154.31 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -167.14 110.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -114.42 167.44 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 177.36 144.69 0.28 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.0 -171.87 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . -130.51 55.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 19' ' ' ASP . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -128.08 165.22 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.27 -178.18 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.1 159.18 33.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.96 138.09 13.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 2.6 t -95.67 86.45 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.82 115.91 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -113.63 168.21 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 84.07 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -74.36 120.56 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.55 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -77.52 174.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t30 62.09 167.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.92 174.27 21.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.72 26.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 173.05 7.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.602 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 97' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 67' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.602 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 116' ' ' VAL . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.551 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 -75.37 158.55 32.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 9.7 p90 -30.67 138.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.605 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.01 -52.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.005 0.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 169.13 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.5 mtt-85 -153.19 110.85 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 10.3 mtmt -64.89 102.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.19 72.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 93' ' ' LYS . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.64 ' CG2' ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.64 ' CE1' ' CG2' ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -90.36 114.22 26.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.26 156.31 11.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -59.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.4 p -103.25 161.59 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 t -93.55 126.19 38.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 176.68 149.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -172.03 171.32 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.42 164.02 39.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.47 18.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 173.12 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 165.83 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.08 168.41 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.6 155.85 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.51 -120.33 1.03 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.12 78.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 p -117.94 112.65 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.9 149.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.28 92.3 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.78 120.91 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 131.52 44.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -120.63 178.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.22 114.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.82 144.23 6.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 139.04 23.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -98.7 -146.32 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' THR . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.594 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 97' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 48' ' ' LEU . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 HD21 ' CG2' ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -46.09 156.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 2.8 p90 -35.01 124.96 0.56 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -74.98 158.86 98.74 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.012 0.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NE ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -81.45 101.55 9.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -108.69 129.15 55.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' SER . 18.0 mttt -83.05 92.43 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.35 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.498 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.498 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.46 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 102' ' ' THR . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.41 ' CG2' HD23 ' A' ' 69' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.473 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.455 ' NE2' ' OE2' ' A' ' 84' ' ' GLU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t -73.42 153.52 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.09 -150.0 20.66 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 62.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -53.68 -59.17 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 118.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -176.6 171.47 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -159.65 171.28 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.33 144.36 3.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.85 2.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.51 51.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 171.21 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.01 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.29 161.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.94 138.73 2.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.62 91.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -175.15 166.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 62.4 97.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -74.2 98.22 0.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.52 89.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLY . 20.7 t0 179.32 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 40' ' ' ASN . 2.7 t -107.52 158.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t-20 -168.18 87.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -125.99 1.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER 64.57 161.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 2.3 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.586 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 103' ' ' LEU . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.492 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 48' ' ' LEU . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 85' ' ' LEU . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 90' ' ' PRO . 3.4 t-20 -50.87 151.76 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 13.4 p90 -37.59 126.94 0.91 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 159.4 98.07 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.016 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 150.32 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 122.42 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -65.51 107.79 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 13.4 mt -75.82 92.72 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.439 ' N ' HD23 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.495 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -88.34 125.72 34.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.97 162.48 37.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.0 147.84 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.4 133.7 44.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 156.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.12 170.03 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.99 154.43 95.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.42 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.99 153.09 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' H ' ' CG2' ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -123.54 48.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.38 165.53 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -147.05 164.68 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.46 16.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.5 t -99.12 84.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.69 100.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.5 148.0 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.01 163.53 10.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.7 pt -57.05 165.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -99.43 104.32 16.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.84 133.39 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.72 106.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -126.02 2.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.01 11.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.52 162.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' ' HG2' ' A' ' 111' ' ' GLN . 4.1 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.708 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.607 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD2' ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.708 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 18.9 t60 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 85' ' ' LEU . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.51 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' CD2' HG22 ' A' ' 116' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.438 ' CG2' HD22 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 90' ' ' PRO . 1.7 t-20 -64.58 156.11 30.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 15.6 p90 -36.68 125.88 0.76 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -75.0 158.65 98.87 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.036 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.63 148.02 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 -164.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -146.95 102.3 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.1 80.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.584 ' CD1' HD13 ' A' ' 66' ' ' LEU . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.58 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.58 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' N ' HD12 ' A' ' 101' ' ' ILE . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.585 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' MET . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.585 ' CZ ' HG22 ' A' ' 113' ' ' THR . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.49 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -71.96 149.51 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.82 -153.14 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.01 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 m -118.42 151.8 37.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -127.28 -59.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.956 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -173.54 170.37 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p 178.56 170.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.02 153.3 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -174.76 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.85 147.53 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -121.94 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.87 124.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -171.26 152.19 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.43 77.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 -163.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 t 43.17 88.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -170.49 93.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.11 90.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.43 106.54 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 101.54 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -40.86 140.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -165.59 107.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 -172.89 26.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.89 154.15 18.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.517 ' O ' ' N ' ' A' ' 114' ' ' VAL . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.619 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.619 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.516 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.516 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 48' ' ' LEU . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 74' ' ' GLN . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 73' ' ' VAL . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.628 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -64.64 172.52 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 22.2 p90 -35.89 141.6 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 -40.54 1.18 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.995 -0.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 158.86 172.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER 162.99 141.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 13.2 mttp -105.44 111.95 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.67 86.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 97' ' ' LEU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.441 ' N ' HD13 ' A' ' 101' ' ' ILE . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 87' ' ' THR . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.551 HG21 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 49' ' ' ARG . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 78' ' ' TYR . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -113.62 163.54 14.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.7 -146.15 16.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 79.6 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.45 147.42 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.4 t 179.93 137.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -176.7 159.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 173.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -146.62 109.52 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.43 151.0 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -174.37 109.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.97 163.41 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -179.83 161.14 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' VAL . . . -157.55 64.67 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 9.6 p -62.76 80.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 p -151.71 123.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -175.69 124.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.42 83.3 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.69 176.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' VAL . 2.8 t0 177.68 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 1.5 p -40.47 148.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.93 123.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.12 -146.4 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.49 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 169.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 69' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' CG2' HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.518 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.9 157.92 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 88' ' ' ASN . 1.6 p90 -26.59 136.63 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.621 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.03 -56.31 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.992 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.621 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 167.71 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 20.6 mtt85 -155.73 113.58 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 91' ' ' ARG . 21.2 mttt -68.16 88.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -61.01 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 ' CA ' ' A' ' 106' ' ' ALA . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.542 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.542 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' CG ' HD11 ' A' ' 108' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.567 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.567 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.91 159.85 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.25 -160.38 36.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.07 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -62.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.5 102.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 152.9 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -162.76 171.05 17.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -133.92 146.49 60.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.58 3.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.86 178.78 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 161.12 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.0 170.16 18.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.32 175.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 153.06 25.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -116.09 114.52 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -104.63 167.58 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.94 102.67 1.09 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -52.61 139.72 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.23 152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.03 143.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.81 162.24 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.45 174.35 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.73 11.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -142.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 114' ' ' VAL . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.414 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 99' ' ' TYR . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.544 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' HD21 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' C ' ' CD ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.515 ' C ' ' OE1' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.578 ' CD2' ' OE1' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.0 t-20 -88.57 174.92 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.1 p90 -34.58 131.75 0.44 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.05 -55.94 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.995 0.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 169.72 146.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -169.59 124.99 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' C ' HD23 ' A' ' 94' ' ' LEU . 13.2 mttt -78.59 137.16 37.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.693 ' N ' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -101.32 78.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' CE1' HG22 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 102' ' ' THR . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.455 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 113' ' ' THR . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.46 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.3 112.82 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.29 156.75 31.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.34 6.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.3 m -85.92 162.04 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -137.05 150.9 48.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.06 170.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -177.22 171.24 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -96.35 116.08 65.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.91 3.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 -169.86 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.54 169.44 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.65 175.7 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.95 170.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.04 131.2 2.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -163.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -166.67 151.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 66.79 107.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.53 74.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.32 161.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -113.1 168.06 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.98 -66.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.88 171.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.68 -155.94 15.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.4 40.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 61' ' ' PRO . 2.5 mttp -119.76 166.52 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' CD2' ' CG2' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.603 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HA ' ' CG1' ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 72' ' ' HIS . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' N ' HD11 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' CD1' HD11 ' A' ' 69' ' ' LEU . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.482 HG22 ' CD2' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.1 t-20 -88.88 161.64 16.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 6.6 p90 -33.94 124.06 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.3 Cg_endo -74.99 158.5 98.96 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.995 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -67.74 117.21 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.58 135.42 40.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -93.53 110.72 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.52 89.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.52 ' CD2' HD21 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 101' ' ' ILE . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 87' ' ' THR . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.474 HG21 ' CZ ' ' A' ' 115' ' ' PHE . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.673 ' CG1' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -99.75 168.48 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -58.57 -151.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.72 85.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.0 t -141.93 -58.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.658 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.7 ' HG3' HG23 ' A' ' 59' ' ' THR . 6.5 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.652 ' HB3' HG23 ' A' ' 113' ' ' THR . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.622 HG21 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.7 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 1.0 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.941 ' N ' HD13 ' A' ' 69' ' ' LEU . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' A' ' 78' ' ' TYR . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.758 ' HB2' HG12 ' A' ' 73' ' ' VAL . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.536 HG22 ' CD2' ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 HD21 ' A' ' 108' ' ' LEU . 38.6 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' HIS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.896 ' CE1' HD23 ' A' ' 97' ' ' LEU . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.896 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 101' ' ' ILE . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 98' ' ' ASP . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 61' ' ' PRO . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' HD12 ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 94' ' ' LEU . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 47' ' ' MET . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.419 HG11 HD21 ' A' ' 69' ' ' LEU . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.812 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.499 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.782 HG21 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.932 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' CG ' HD22 ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.782 ' CE1' HG21 ' A' ' 58' ' ' ILE . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' HD11 ' A' ' 85' ' ' LEU . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.925 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 66' ' ' LEU . 47.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' HIS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.856 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.856 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD1' HD12 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 63' ' ' GLN . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.427 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.439 ' CB ' HD12 ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' A' ' 48' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.875 ' HB3' HD11 ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 25' ' ' MET . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.71 ' HG3' HG23 ' A' ' 59' ' ' THR . 16.2 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.827 HD13 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.71 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.905 HG21 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.827 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.955 ' CD2' HG22 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.869 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' HD21 ' A' ' 94' ' ' LEU . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 87' ' ' THR . 5.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.623 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.905 ' CE1' HG21 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 102' ' ' THR . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 63' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.899 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 48' ' ' LEU . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.869 ' CB ' HD11 ' A' ' 86' ' ' LEU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.2 tttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.832 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.797 HG21 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 60' ' ' LEU . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' THR . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.757 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD21 ' HB3' ' A' ' 94' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.797 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.75 HG11 HD21 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.814 ' CD2' HG22 ' A' ' 116' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.719 ' HB3' HD21 ' A' ' 66' ' ' LEU . 42.7 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 1.049 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.049 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' H ' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.659 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.454 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 63' ' ' GLN . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.773 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.814 HG22 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.88 ' HB3' HD11 ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.825 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.7 mt-30 -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.647 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.601 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' CZ ' HG21 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.579 HD13 HD21 ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.621 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 67' ' ' LEU . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.692 HG11 HD21 ' A' ' 85' ' ' LEU . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 5.4 t-20 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.849 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.743 ' CD2' HG22 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.849 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.932 ' CE1' HD23 ' A' ' 97' ' ' LEU . 15.6 p80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 61' ' ' PRO . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.494 ' OE2' ' ND2' ' A' ' 88' ' ' ASN . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 ' HB3' ' A' ' 47' ' ' MET . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.743 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.807 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.849 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' CD1' ' A' ' 69' ' ' LEU . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.704 HG21 ' NE2' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.849 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.87 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.786 HD21 HG21 ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.704 ' NE2' HG21 ' A' ' 58' ' ' ILE . 48.6 t-80 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 78' ' ' TYR . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.867 ' HB2' HG12 ' A' ' 73' ' ' VAL . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG3' HD21 ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 73' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.725 ' NE2' HD23 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.725 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.955 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 69' ' ' LEU . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.547 HG22 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.693 ' CB ' HD11 ' A' ' 86' ' ' LEU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' THR . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' ALA . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.819 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.571 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.965 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 102' ' ' THR . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.965 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 66' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.85 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.628 ' CE1' HG21 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 85' ' ' LEU . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' PRO . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 85' ' ' LEU . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.776 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.806 HG23 HD11 ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.807 HD22 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.743 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.743 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.85 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.486 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 61' ' ' PRO . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.5 ' CD2' HG22 ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.524 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.776 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.8 ' HB3' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.788 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.818 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.633 HG21 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.939 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.585 ' CG ' HD22 ' A' ' 67' ' ' LEU . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.633 ' CE1' HG21 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.768 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB3' HD11 ' A' ' 66' ' ' LEU . 30.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.987 ' CE1' HD23 ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.987 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 105' ' ' GLU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 63' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 61' ' ' PRO . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.632 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 115' ' ' PHE . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE1' HG22 ' A' ' 113' ' ' THR . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.738 ' HB3' HD11 ' A' ' 86' ' ' LEU . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.768 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.6 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' HB ' HD23 ' A' ' 67' ' ' LEU . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' A' ' 58' ' ' ILE . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 73' ' ' VAL . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.505 ' CG2' HD11 ' A' ' 94' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.563 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.756 ' NE2' HD23 ' A' ' 97' ' ' LEU . 18.0 p-80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.756 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 66' ' ' LEU . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 61' ' ' PRO . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.52 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.801 ' CB ' HD11 ' A' ' 86' ' ' LEU . 28.9 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' A' ' 59' ' ' THR . 14.4 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.581 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.928 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.601 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 85' ' ' LEU . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.69 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 73' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.848 HG23 HD21 ' A' ' 94' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' NE2' HD23 ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.928 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.884 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 108' ' ' LEU . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.85 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD21 HD13 ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.642 ' HG2' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.889 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 43' ' ' LYS . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CB ' HD11 ' A' ' 103' ' ' LEU . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.991 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.991 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.893 HD21 ' HB3' ' A' ' 94' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.784 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.889 ' CE1' HG21 ' A' ' 58' ' ' ILE . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 85' ' ' LEU . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.681 ' C ' HD12 ' A' ' 85' ' ' LEU . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.756 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.893 ' HB3' HD21 ' A' ' 66' ' ' LEU . 61.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.757 ' NE2' HD23 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.757 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 101' ' ' ILE . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.784 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.534 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 105' ' ' GLU . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD13 HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.642 HG23 ' HG2' ' A' ' 47' ' ' MET . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.506 HG13 ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 85' ' ' LEU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.816 ' HG2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.749 ' C ' HD22 ' A' ' 15' ' ' LEU . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 14' ' ' GLY . 3.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.582 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.553 ' HB3' HG23 ' A' ' 113' ' ' THR . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.791 HG21 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.988 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.054 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.714 ' CD2' HD23 ' A' ' 97' ' ' LEU . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD12 ' HB ' ' A' ' 70' ' ' VAL . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.794 ' N ' HD13 ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.791 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 116' ' ' VAL . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 85' ' ' LEU . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.643 ' CG2' HD21 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.679 ' HA ' HD21 ' A' ' 97' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.603 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.054 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' HD12 ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 112' ' ' GLU . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' A' ' 108' ' ' LEU . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 85' ' ' LEU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.699 ' CB ' HD11 ' A' ' 86' ' ' LEU . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 17' ' ' ALA . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.74 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.615 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB3' HG23 ' A' ' 113' ' ' THR . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.747 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.615 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.984 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 69' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD12 ' HB ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.946 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.808 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.872 ' HG3' HD21 ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 69' ' ' LEU . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.872 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CG2' HD21 ' A' ' 94' ' ' LEU . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.529 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 HD21 ' CG2' ' A' ' 87' ' ' THR . 2.0 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.787 ' CE1' HD23 ' A' ' 97' ' ' LEU . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.653 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' A' ' 67' ' ' LEU . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 98' ' ' ASP . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.615 HD11 ' CB ' ' A' ' 60' ' ' LEU . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.833 HG22 ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.561 HG12 HD22 ' A' ' 85' ' ' LEU . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.746 HG22 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.768 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.414 ' HB3' HG23 ' A' ' 113' ' ' THR . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.944 HG21 ' CE1' ' A' ' 72' ' ' HIS . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 1.009 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 114' ' ' VAL . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' A' ' 58' ' ' ILE . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.774 HG11 HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.774 HD21 HG11 ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 94' ' ' LEU . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD11 ' CG2' ' A' ' 87' ' ' THR . 17.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.833 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.603 HD11 ' CB ' ' A' ' 60' ' ' LEU . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 47' ' ' MET . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.494 ' CD ' HD11 ' A' ' 86' ' ' LEU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.0 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.616 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.601 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.783 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.753 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' HD23 ' A' ' 67' ' ' LEU . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.616 ' CE1' HG21 ' A' ' 58' ' ' ILE . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.697 HG11 HG21 ' A' ' 116' ' ' VAL . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' HB2' HG12 ' A' ' 73' ' ' VAL . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 85' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.72 HD11 ' OE1' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.785 HG23 HD11 ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 87' ' ' THR . 13.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.601 ' H ' HD22 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.621 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.621 ' CZ ' HG22 ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.697 HG21 HG11 ' A' ' 73' ' ' VAL . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.72 ' OE1' HD11 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.482 ' C ' HD12 ' A' ' 22' ' ' ILE . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.727 ' H ' HG22 ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' ' 59' ' ' THR . 6.9 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 45' ' ' GLN . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 56' ' ' GLU . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HG2' HD12 ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.772 HG21 ' NE2' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.982 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.087 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 94' ' ' LEU . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.97 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.772 ' NE2' HG21 ' A' ' 58' ' ' ILE . 40.4 t-80 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.803 HG12 ' HB2' ' A' ' 78' ' ' TYR . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HG3' ' CE1' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.803 ' HB2' HG12 ' A' ' 73' ' ' VAL . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.518 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.473 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.749 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.879 HD22 HG12 ' A' ' 114' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.464 ' CG2' HD21 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' A' ' 66' ' ' LEU . 17.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.737 ' NE2' HD23 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.737 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 70' ' ' VAL . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.429 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.579 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.087 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.579 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 47' ' ' MET . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.879 HG12 HD22 ' A' ' 85' ' ' LEU . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.681 HG22 HD21 ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.726 ' CB ' HD11 ' A' ' 86' ' ' LEU . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.717 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.753 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' HD13 ' A' ' 48' ' ' LEU . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.9 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 114' ' ' VAL . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.684 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 85' ' ' LEU . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.805 ' CD2' HG11 ' A' ' 116' ' ' VAL . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.769 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.998 ' CD2' HG22 ' A' ' 116' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 108' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.939 ' CE1' HD23 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.939 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 60' ' ' LEU . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 46' ' ' LEU . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.949 HG22 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 113' ' ' THR . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.998 HG22 ' CD2' ' A' ' 85' ' ' LEU . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.795 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.636 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.845 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 66' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD11 HG11 ' A' ' 114' ' ' VAL . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.826 ' HB ' HD23 ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.623 ' CE1' HG21 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.952 HG21 HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.745 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.952 HD21 HG21 ' A' ' 73' ' ' VAL . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.745 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.495 HG23 HD11 ' A' ' 94' ' ' LEU . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 87' ' ' THR . 32.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.894 ' CE1' HD23 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.894 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.479 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 46' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.68 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.717 ' CZ ' HG22 ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 85' ' ' LEU . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.582 ' HB3' HG23 ' A' ' 113' ' ' THR . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 ' CG2' HD21 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.762 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.611 ' NE2' HG21 ' A' ' 58' ' ' ILE . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.59 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ASN . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.05 HG23 HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.05 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.769 ' NE2' HD23 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 46' ' ' LEU . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' A' ' 94' ' ' LEU . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 47' ' ' MET . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.66 HG22 HD22 ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.67 ' CB ' HD11 ' A' ' 86' ' ' LEU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HB3' HG22 ' A' ' 59' ' ' THR . 2.5 mttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 110' ' ' PRO . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.714 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.763 ' HA ' HG13 ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.779 ' HD3' HG22 ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.706 HG12 HD21 ' A' ' 48' ' ' LEU . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.714 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 1.006 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.006 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.696 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.024 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.702 ' CE1' HG21 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.643 HG21 HD21 ' A' ' 85' ' ' LEU . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD22 HG12 ' A' ' 114' ' ' VAL . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.525 HG23 ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 66' ' ' LEU . 85.5 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 61' ' ' PRO . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 94' ' ' LEU . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.522 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.767 HG12 HD22 ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.779 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 86' ' ' LEU . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.36 166.17 23.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.6 167.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -170.94 136.07 1.07 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.01 160.01 40.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.44 173.5 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 167.47 19.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 107.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 173.72 156.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.56 -145.46 4.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.5 p -77.54 -153.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.693 ' H ' HG22 ' A' ' 33' ' ' VAL . 9.9 p -158.94 118.1 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -122.78 169.48 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.25 -137.45 4.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mp 39.42 87.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.02 161.33 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.03 157.58 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 122.28 26.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.05 -172.63 25.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.85 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.445 1.761 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.658 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -106.88 148.35 28.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.7 ' HG3' HG23 ' A' ' 59' ' ' THR . 6.5 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.652 ' HB3' HG23 ' A' ' 113' ' ' THR . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.622 HG21 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.7 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 1.0 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.941 ' N ' HD13 ' A' ' 69' ' ' LEU . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' A' ' 78' ' ' TYR . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.758 ' HB2' HG12 ' A' ' 73' ' ' VAL . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.536 HG22 ' CD2' ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.88 -50.02 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.0 p90 -178.88 135.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.04 158.69 98.8 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.987 0.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.85 107.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.468 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.4 ttp-105 -128.27 127.06 42.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 16.6 mttt -87.29 95.53 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 HD21 ' A' ' 108' ' ' LEU . 38.6 mt -54.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LYS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.896 ' CE1' HD23 ' A' ' 97' ' ' LEU . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.896 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 101' ' ' ILE . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 98' ' ' ASP . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 61' ' ' PRO . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' HD12 ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.449 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 94' ' ' LEU . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 47' ' ' MET . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.419 HG11 HD21 ' A' ' 69' ' ' LEU . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -101.99 144.74 30.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -152.58 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.16 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.05 87.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t 70.65 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.39 170.71 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -156.05 171.44 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.99 155.87 72.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 130.33 42.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 100.73 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.45 95.17 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.26 164.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.77 134.82 3.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.7 t -92.24 87.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.9 t 41.32 87.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.49 113.21 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.6 148.88 5.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.04 113.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.99 134.66 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -40.67 125.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 48.57 83.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.3 -143.18 7.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.97 8.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -61.22 169.68 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.812 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.499 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.782 HG21 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.932 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' CG ' HD22 ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.782 ' CE1' HG21 ' A' ' 58' ' ' ILE . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' HD11 ' A' ' 85' ' ' LEU . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.925 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -97.65 -44.21 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.2 p90 -178.02 134.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.02 159.21 98.33 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' PRO . 0.9 OUTLIER -105.25 136.65 44.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' SER . 20.7 mttt -90.92 97.97 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 66' ' ' LEU . 47.6 mt -53.23 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.856 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.856 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD1' HD12 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 63' ' ' GLN . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.439 ' CB ' HD12 ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' A' ' 48' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.875 ' HB3' HD11 ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -62.24 124.65 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.41 158.32 34.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 106.62 2.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -62.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 161.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 129.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -175.63 159.83 2.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.93 156.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' PRO . . . 178.9 42.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 25' ' ' MET . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.72 6.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.27 131.01 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 178.79 141.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -161.12 99.42 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 33' ' ' VAL . 2.0 p -65.01 78.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 32' ' ' GLY . 3.6 p -134.91 123.62 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -147.58 161.23 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.86 98.23 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.7 174.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -173.06 111.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -42.01 140.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -157.48 114.06 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.55 -140.36 5.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.1 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER -95.46 156.36 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.71 ' HG3' HG23 ' A' ' 59' ' ' THR . 16.2 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.827 HD13 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.71 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.905 HG21 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.827 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.955 ' CD2' HG22 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.869 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' HD21 ' A' ' 94' ' ' LEU . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.9 t-20 -89.72 178.08 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 15.2 p90 -34.86 141.69 0.26 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -74.98 -43.06 0.73 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -104.2 145.01 30.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 11.0 mttt -107.79 126.98 53.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 87' ' ' THR . 5.2 mt -88.65 96.24 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.623 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.905 ' CE1' HG21 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 102' ' ' THR . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 63' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.899 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 48' ' ' LEU . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.869 ' CB ' HD11 ' A' ' 86' ' ' LEU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t -56.57 134.54 54.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.03 -146.05 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.53 7.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.8 p -137.9 173.49 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t 58.91 -91.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.69 159.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.17 170.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -163.24 154.51 14.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.0 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.9 127.9 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -167.77 109.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.87 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t0 64.54 125.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.84 159.15 28.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.5 t -94.72 84.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 34' ' ' VAL . 11.4 p -121.12 115.78 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.8 73.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -90.17 -99.59 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 37' ' ' ILE . 9.4 mt 39.41 65.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.44 104.16 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 p -40.32 142.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -179.96 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.58 -155.88 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.82 8.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.2 tttp -74.28 161.83 29.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.832 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.797 HG21 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 60' ' ' LEU . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' THR . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.757 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD21 ' HB3' ' A' ' 94' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.797 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.75 HG11 HD21 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.814 ' CD2' HG22 ' A' ' 116' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.8 t-20 -77.05 174.78 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 21.0 p90 -31.91 138.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.01 -48.65 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.021 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.46 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -110.05 129.99 55.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 19.6 mttt -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.719 ' HB3' HD21 ' A' ' 66' ' ' LEU . 42.7 mt -49.01 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 1.049 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.049 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' H ' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.659 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.454 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 63' ' ' GLN . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.773 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.814 HG22 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.88 ' HB3' HD11 ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t -68.33 134.95 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.34 160.77 32.49 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.1 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.0 t 62.47 123.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -137.3 165.69 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.06 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.54 171.02 18.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.8 172.27 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -157.29 151.89 20.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.39 170.05 16.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.36 149.79 19.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.47 173.19 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -150.93 102.57 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.36 132.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 33' ' ' VAL . 3.4 t -95.69 88.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.1 p -128.37 119.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -109.2 138.36 45.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.55 107.71 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 mt -98.01 122.28 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -139.31 142.63 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.15 113.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.62 126.97 24.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.0 -147.19 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.03 17.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -88.02 177.77 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.825 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.7 mt-30 -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.647 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.601 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' CZ ' HG21 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.579 HD13 HD21 ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.621 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 67' ' ' LEU . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.692 HG11 HD21 ' A' ' 85' ' ' LEU . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 5.4 t-20 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.849 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.743 ' CD2' HG22 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.849 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -53.12 161.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 39.8 p90 -29.5 136.82 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.02 -57.08 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.963 0.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.608 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 168.35 148.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.7 mtt-85 -147.3 107.17 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -69.39 85.08 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.2 mt -58.76 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.734 ' NE2' HD23 ' A' ' 97' ' ' LEU . 22.2 p-80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 61' ' ' PRO . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.494 ' OE2' ' ND2' ' A' ' 88' ' ' ASN . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 ' HB3' ' A' ' 47' ' ' MET . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.743 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.807 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -80.74 121.19 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.03 160.85 33.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 61.97 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.56 100.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -118.17 122.4 42.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.96 169.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.77 174.68 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.32 116.99 26.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.58 -179.64 4.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.3 mttp 61.35 -106.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 69.76 -178.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.24 84.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.87 -70.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.5 t -95.79 87.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.03 144.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -39.46 142.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -58.02 140.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 39' ' ' VAL . 7.1 p-10 -164.32 169.99 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.3 p 31.59 87.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.15 166.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.34 -133.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.95 25.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -54.12 173.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.849 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' CD1' ' A' ' 69' ' ' LEU . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.704 HG21 ' NE2' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.849 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.87 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.786 HD21 HG21 ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.704 ' NE2' HG21 ' A' ' 58' ' ' ILE . 48.6 t-80 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 78' ' ' TYR . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.867 ' HB2' HG12 ' A' ' 73' ' ' VAL . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG3' HD21 ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 73' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -86.18 -50.62 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.489 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 46.6 p90 -178.25 134.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.02 158.73 98.8 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 107.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 96' ' ' HIS . 3.3 ttt180 -132.31 125.95 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.35 94.54 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt -49.25 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.725 ' NE2' HD23 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.725 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.955 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 69' ' ' LEU . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.547 HG22 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.693 ' CB ' HD11 ' A' ' 86' ' ' LEU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t -80.72 152.64 28.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -69.15 -147.41 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.81 4.7 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.1 p -83.52 169.73 15.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.7 p -115.38 133.27 56.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p 177.44 169.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.35 153.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.13 160.73 26.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.83 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.13 145.45 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -103.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.63 83.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.27 122.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.8 157.79 19.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.67 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.8 t -96.12 84.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 34' ' ' VAL . 12.6 p -133.04 65.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -123.86 154.62 39.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.33 92.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.98 170.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.49 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -40.33 125.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -174.2 129.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.99 -177.93 3.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.98 177.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' THR . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' ALA . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.819 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.571 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.965 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 102' ' ' THR . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.965 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 66' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.85 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.628 ' CE1' HG21 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 85' ' ' LEU . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' PRO . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 85' ' ' LEU . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.776 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.806 HG23 HD11 ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' PHE . 3.3 t-20 -84.57 -175.81 5.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.7 p90 -34.61 137.79 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.0 -43.98 0.62 Allowed 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.002 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 169.21 54.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' CB ' ' OG1' ' A' ' 87' ' ' THR . 0.1 OUTLIER -70.46 152.26 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.75 ' C ' HD13 ' A' ' 94' ' ' LEU . 7.8 mttp -125.3 151.2 46.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.815 HD22 ' H ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -123.74 87.34 2.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.743 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.743 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.85 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.486 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 61' ' ' PRO . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.5 ' CD2' HG22 ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.524 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.776 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.8 ' HB3' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -78.13 170.32 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.22 -143.4 3.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.38 22.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.62 168.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 m 61.67 107.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.1 170.08 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -173.37 170.28 4.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.59 119.57 25.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.53 -179.51 6.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -126.56 150.55 48.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.13 173.86 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 61.89 158.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.06 147.24 4.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.719 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.4 t -96.3 83.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.3 p -123.52 66.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -135.29 104.05 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 39.45 -105.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 35' ' ' GLU . 10.4 mt 39.38 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -138.61 152.81 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -111.62 139.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.58 105.97 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.75 -152.33 5.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.68 2.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -67.28 163.81 19.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.788 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.818 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.633 HG21 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.939 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.585 ' CG ' HD22 ' A' ' 67' ' ' LEU . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.633 ' CE1' HG21 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.768 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 89' ' ' PHE . 6.7 t-20 -87.84 174.91 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -31.88 139.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 -46.22 0.39 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.959 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.48 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -106.41 128.9 54.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 80.0 mttt -90.51 123.48 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB3' HD11 ' A' ' 66' ' ' LEU . 30.3 mt -81.47 83.44 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.987 ' CE1' HD23 ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.987 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 105' ' ' GLU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 63' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 61' ' ' PRO . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.632 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 115' ' ' PHE . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE1' HG22 ' A' ' 113' ' ' THR . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.738 ' HB3' HD11 ' A' ' 86' ' ' LEU . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.06 110.48 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.73 -150.88 8.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -60.56 109.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 p -112.15 112.84 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -159.13 61.59 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -95.18 160.8 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.37 141.56 11.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' O ' HD22 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.97 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.023 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 145.2 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.92 172.85 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.97 166.53 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -164.91 163.89 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.34 105.36 0.32 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.71 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.4 114.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.28 148.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.93 91.82 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.7 mt -90.22 136.8 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -56.85 111.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 39' ' ' VAL . 2.9 t -85.61 79.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -178.77 148.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.81 -127.03 8.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.759 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.53 158.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.768 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.6 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.449 ' HB ' HD23 ' A' ' 67' ' ' LEU . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' A' ' 58' ' ' ILE . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 73' ' ' VAL . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.505 ' CG2' HD11 ' A' ' 94' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -89.64 162.68 15.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 11.6 p90 -34.29 124.37 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.02 158.03 99.23 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.965 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 86.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.98 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 94' ' ' LEU . 7.1 mttp -105.06 152.08 23.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.89 82.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.563 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.951 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.5 p80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.951 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 66' ' ' LEU . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 61' ' ' PRO . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.52 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.801 ' CB ' HD11 ' A' ' 86' ' ' LEU . 28.9 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -98.31 161.95 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.83 157.16 28.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.9 p -150.42 120.12 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.35 171.48 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -155.83 172.39 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.0 mm? -98.62 132.16 24.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -74.99 176.34 10.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.09 127.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -123.11 82.71 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 67.76 138.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.7 117.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.84 147.14 5.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.653 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.7 t -94.62 85.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.82 139.45 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.15 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -168.8 -94.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.2 mt 39.59 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -40.38 108.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 1.2 p -42.93 117.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -76.18 78.92 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.21 -136.64 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -98.06 153.04 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' A' ' 59' ' ' THR . 14.4 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.581 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.928 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.601 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 85' ' ' LEU . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.69 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 73' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.848 HG23 HD21 ' A' ' 94' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.0 t-20 -86.07 158.67 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 13.6 p90 -36.56 126.42 0.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -74.94 158.97 98.65 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.01 -0.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 125.34 26.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -140.2 123.37 16.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.646 ' C ' HD22 ' A' ' 94' ' ' LEU . 18.7 mttt -83.4 138.13 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER -101.07 84.36 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' NE2' HD23 ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.928 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.884 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 108' ' ' LEU . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.85 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t -60.02 128.92 39.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.06 -153.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.57 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.7 90.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.6 p -57.6 143.61 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -136.05 -58.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.53 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 16' ' ' PRO . 1.7 mm? -42.45 122.52 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.97 -164.9 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.91 142.55 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.58 136.0 36.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.61 151.27 50.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.06 171.88 13.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.45 -136.68 2.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -163.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -153.55 141.47 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.89 178.89 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.3 -129.3 5.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 pt -55.4 179.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.69 164.26 12.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.83 -63.79 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -172.1 118.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.46 160.6 9.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.13 13.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -55.28 175.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD21 HD13 ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.642 ' HG2' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.889 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 43' ' ' LYS . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CB ' HD11 ' A' ' 103' ' ' LEU . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.991 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.991 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.893 HD21 ' HB3' ' A' ' 94' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.784 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.889 ' CE1' HG21 ' A' ' 58' ' ' ILE . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 85' ' ' LEU . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.681 ' C ' HD12 ' A' ' 85' ' ' LEU . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.756 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -61.7 173.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 14.0 p90 -30.17 136.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 18.1 Cg_endo -75.09 -50.99 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.98 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 158.83 80.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -90.25 124.21 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -86.89 101.77 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.893 ' HB3' HD21 ' A' ' 66' ' ' LEU . 61.5 mt -62.7 93.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.757 ' NE2' HD23 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.757 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 101' ' ' ILE . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.784 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.534 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 105' ' ' GLU . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD13 HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.642 HG23 ' HG2' ' A' ' 47' ' ' MET . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.506 HG13 ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 85' ' ' LEU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.816 ' HG2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -90.24 31.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.56 159.27 23.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -153.98 155.4 35.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.96 166.46 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.98 99.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -178.62 117.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.749 ' C ' HD22 ' A' ' 15' ' ' LEU . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 14' ' ' GLY . 3.4 mm? -124.36 107.42 29.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.63 41.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.32 51.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.72 160.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.19 157.08 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.43 95.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' VAL . . . -118.46 -132.17 4.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.802 HG13 ' O ' ' A' ' 33' ' ' VAL . 5.2 p 30.72 68.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.12 90.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.82 127.8 52.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.48 135.1 2.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -52.11 143.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.14 125.8 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -27.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -109.79 155.56 21.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.74 154.97 4.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.19 27.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.67 144.51 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.582 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.553 ' HB3' HG23 ' A' ' 113' ' ' THR . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.791 HG21 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.988 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.054 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.714 ' CD2' HD23 ' A' ' 97' ' ' LEU . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD12 ' HB ' ' A' ' 70' ' ' VAL . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.794 ' N ' HD13 ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.791 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 116' ' ' VAL . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 85' ' ' LEU . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.643 ' CG2' HD21 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.8 t-20 -74.01 176.2 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -32.44 138.58 0.22 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 -47.33 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.043 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.24 98.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 133.46 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -82.0 117.64 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.679 ' HA ' HD21 ' A' ' 97' ' ' LEU . 17.7 mt -81.91 97.73 8.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.603 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.054 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' HD12 ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 112' ' ' GLU . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' A' ' 108' ' ' LEU . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 85' ' ' LEU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.699 ' CB ' HD11 ' A' ' 86' ' ' LEU . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -82.86 173.62 11.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 -145.91 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 142.06 27.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.44 -56.45 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.1 p -91.37 154.31 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -167.14 110.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -114.42 167.44 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 177.36 144.69 0.28 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.808 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.0 -171.87 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -130.51 55.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 17' ' ' ALA . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -128.08 165.22 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.27 -178.18 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.1 159.18 33.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.96 138.09 13.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.6 t -95.67 86.45 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 34' ' ' VAL . 8.1 p -129.82 115.91 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -113.63 168.21 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 84.07 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -74.36 120.56 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.55 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -77.52 174.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t30 62.09 167.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.92 174.27 21.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.72 26.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.96 173.05 7.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.74 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.615 ' N ' HD22 ' A' ' 46' ' ' LEU . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB3' HG23 ' A' ' 113' ' ' THR . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.747 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.615 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.984 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 69' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD12 ' HB ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.808 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.872 ' HG3' HD21 ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 69' ' ' LEU . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.872 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CG2' HD21 ' A' ' 94' ' ' LEU . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.529 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 -75.37 158.55 32.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 9.7 p90 -30.67 138.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.606 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.01 -52.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.005 0.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 169.13 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.5 mtt-85 -153.19 110.85 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 10.3 mtmt -64.89 102.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 HD21 ' CG2' ' A' ' 87' ' ' THR . 2.0 mt -72.19 72.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.787 ' CE1' HD23 ' A' ' 97' ' ' LEU . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.653 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' A' ' 67' ' ' LEU . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 98' ' ' ASP . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.615 HD11 ' CB ' ' A' ' 60' ' ' LEU . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.833 HG22 ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.561 HG12 HD22 ' A' ' 85' ' ' LEU . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.746 HG22 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.768 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -90.36 114.22 26.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.26 156.31 11.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -59.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.4 p -103.25 161.59 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 t -93.55 126.19 38.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 176.68 149.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -172.03 171.32 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -140.42 164.02 39.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.0 171.47 18.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 173.12 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 165.83 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.08 168.41 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.6 155.85 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.51 -120.33 1.03 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 33' ' ' VAL . 2.0 p -67.12 78.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.0 p -117.94 112.65 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.9 149.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.28 92.3 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.78 120.91 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 131.52 44.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -120.63 178.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.22 114.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.82 144.23 6.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 139.04 23.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 mttt -98.7 -146.32 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.414 ' HB3' HG23 ' A' ' 113' ' ' THR . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.944 HG21 ' CE1' ' A' ' 72' ' ' HIS . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 1.009 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 114' ' ' VAL . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' A' ' 58' ' ' ILE . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.774 HG11 HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.774 HD21 HG11 ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 94' ' ' LEU . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -46.09 156.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 2.8 p90 -35.01 124.96 0.56 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -74.98 158.86 98.74 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.012 0.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 101.55 9.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -108.69 129.15 55.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' SER . 18.0 mttt -83.05 92.43 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD11 ' CG2' ' A' ' 87' ' ' THR . 17.2 mt -55.35 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.833 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.603 HD11 ' CB ' ' A' ' 60' ' ' LEU . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 47' ' ' MET . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.494 ' CD ' HD11 ' A' ' 86' ' ' LEU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t -73.42 153.52 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.09 -150.0 20.66 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 62.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -53.68 -59.17 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 118.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -176.6 171.47 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -159.65 171.28 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.628 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -167.33 144.36 3.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.628 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -74.99 -174.85 2.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.51 51.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -158.07 171.21 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . 173.01 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.29 161.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.94 138.73 2.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 33' ' ' VAL . 3.2 t -101.62 91.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -175.15 166.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 62.4 97.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -74.2 98.22 0.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.52 89.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLY . 20.7 t0 179.32 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 59' ' ' THR . 2.7 t -107.52 158.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t-20 -168.18 87.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -125.99 1.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER 64.57 161.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.0 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.616 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.601 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.783 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.753 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' HD23 ' A' ' 67' ' ' LEU . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.616 ' CE1' HG21 ' A' ' 58' ' ' ILE . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.697 HG11 HG21 ' A' ' 116' ' ' VAL . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' HB2' HG12 ' A' ' 73' ' ' VAL . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 85' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.72 HD11 ' OE1' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.785 HG23 HD11 ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 90' ' ' PRO . 3.4 t-20 -50.87 151.76 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 90' ' ' PRO . 13.4 p90 -37.59 126.94 0.91 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 159.4 98.07 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.016 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 150.32 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -161.16 122.42 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -65.51 107.79 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 87' ' ' THR . 13.4 mt -75.82 92.72 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.601 ' H ' HD22 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.621 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.621 ' CZ ' HG22 ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.697 HG21 HG11 ' A' ' 73' ' ' VAL . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.72 ' OE1' HD11 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -88.34 125.72 34.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.97 162.48 37.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.0 147.84 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.4 133.7 44.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 156.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.12 170.03 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.99 154.43 95.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.42 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.99 153.09 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.482 ' C ' HD12 ' A' ' 22' ' ' ILE . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.727 ' H ' HG22 ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -123.54 48.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.38 165.53 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -147.05 164.68 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.46 16.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.5 t -99.12 84.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.69 100.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.5 148.0 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.01 163.53 10.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.7 pt -57.05 165.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -99.43 104.32 16.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.84 133.39 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.72 106.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -126.02 2.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.01 11.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.52 162.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' ' 59' ' ' THR . 6.9 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 45' ' ' GLN . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 56' ' ' GLU . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HG2' HD12 ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.772 HG21 ' NE2' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.982 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.087 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 94' ' ' LEU . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.97 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.772 ' NE2' HG21 ' A' ' 58' ' ' ILE . 40.4 t-80 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.803 HG12 ' HB2' ' A' ' 78' ' ' TYR . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HG3' ' CE1' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.803 ' HB2' HG12 ' A' ' 73' ' ' VAL . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.518 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.749 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.879 HD22 HG12 ' A' ' 114' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.464 ' CG2' HD21 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 90' ' ' PRO . 1.7 t-20 -64.58 156.11 30.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 15.6 p90 -36.68 125.88 0.76 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -75.0 158.65 98.87 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.036 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.63 148.02 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 -164.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -146.95 102.3 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' A' ' 66' ' ' LEU . 17.6 mt -66.1 80.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.737 ' NE2' HD23 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.737 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 70' ' ' VAL . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.429 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.579 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.087 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.579 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 47' ' ' MET . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.879 HG12 HD22 ' A' ' 85' ' ' LEU . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.681 HG22 HD21 ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.726 ' CB ' HD11 ' A' ' 86' ' ' LEU . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -71.96 149.51 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.82 -153.14 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.01 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 m -118.42 151.8 37.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -127.28 -59.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.956 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -173.54 170.37 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p 178.56 170.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.02 153.3 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -174.76 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.85 147.53 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.7 mttt -121.94 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . 177.87 124.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -171.26 152.19 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.43 77.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 -163.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 34' ' ' VAL . 20.1 t 43.17 88.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -170.49 93.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.11 90.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.43 106.54 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 101.54 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -40.86 140.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -165.59 107.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 -172.89 26.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.89 154.15 18.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.717 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.753 ' N ' HD22 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' HD13 ' A' ' 48' ' ' LEU . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.9 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 114' ' ' VAL . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.684 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 85' ' ' LEU . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.805 ' CD2' HG11 ' A' ' 116' ' ' VAL . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.769 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.998 ' CD2' HG22 ' A' ' 116' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -64.64 172.52 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 22.2 p90 -35.89 141.6 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 -40.54 1.18 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.995 -0.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 158.86 172.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER 162.99 141.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 13.2 mttp -105.44 111.95 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 108' ' ' LEU . 17.7 mt -70.67 86.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.939 ' CE1' HD23 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.939 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 60' ' ' LEU . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 46' ' ' LEU . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.949 HG22 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 113' ' ' THR . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.998 HG22 ' CD2' ' A' ' 85' ' ' LEU . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.795 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -113.62 163.54 14.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.7 -146.15 16.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 79.6 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.45 147.42 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.4 t 179.93 137.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -176.7 159.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 173.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -146.62 109.52 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.43 151.0 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -174.37 109.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.97 163.41 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -179.83 161.14 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' VAL . . . -157.55 64.67 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 33' ' ' VAL . 9.6 p -62.76 80.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 p -151.71 123.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -175.69 124.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.42 83.3 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.69 176.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' VAL . 2.8 t0 177.68 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 1.5 p -40.47 148.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.93 123.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.12 -146.4 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.49 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.6 169.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.636 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.845 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 66' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD11 HG11 ' A' ' 114' ' ' VAL . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.826 ' HB ' HD23 ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.623 ' CE1' HG21 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.952 HG21 HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.745 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.952 HD21 HG21 ' A' ' 73' ' ' VAL . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.745 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.495 HG23 HD11 ' A' ' 94' ' ' LEU . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.518 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.9 157.92 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 88' ' ' ASN . 1.6 p90 -26.59 136.63 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.62 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.03 -56.31 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.992 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.62 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 167.71 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 20.6 mtt85 -155.73 113.58 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 91' ' ' ARG . 21.2 mttt -68.16 88.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 87' ' ' THR . 32.3 mt -61.01 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.894 ' CE1' HD23 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.894 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.479 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 46' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.68 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.717 ' CZ ' HG22 ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 85' ' ' LEU . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.91 159.85 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.25 -160.38 36.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.07 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -62.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.5 102.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 152.9 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -162.76 171.05 17.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 2.9 mp -133.92 146.49 60.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.01 -177.58 3.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.86 178.78 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 161.12 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.0 170.16 18.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.32 175.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 153.06 25.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.1 p -116.09 114.52 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -104.63 167.58 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.94 102.67 1.09 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -52.61 139.72 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.23 152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.03 143.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.81 162.24 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.45 174.35 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.73 11.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -91.45 -142.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.582 ' HB3' HG23 ' A' ' 113' ' ' THR . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.763 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 ' CG2' HD21 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.762 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.611 ' NE2' HG21 ' A' ' 58' ' ' ILE . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.59 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ASN . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.05 HG23 HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.0 t-20 -88.57 174.92 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.1 p90 -34.58 131.75 0.44 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.05 -55.94 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.995 0.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 169.72 146.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -169.59 124.99 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.667 ' C ' HD22 ' A' ' 94' ' ' LEU . 13.2 mttt -78.59 137.16 37.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.05 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER -101.32 78.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.769 ' NE2' HD23 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 46' ' ' LEU . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' A' ' 94' ' ' LEU . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 47' ' ' MET . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.66 HG22 HD22 ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.67 ' CB ' HD11 ' A' ' 86' ' ' LEU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.3 112.82 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.29 156.75 31.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.34 6.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.3 m -85.92 162.04 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -137.05 150.9 48.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.06 170.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -177.22 171.24 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -96.35 116.08 65.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.91 3.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 -169.86 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.54 169.44 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.65 175.7 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.95 170.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.04 131.2 2.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -163.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -166.67 151.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 66.79 107.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.53 74.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 38' ' ' ASP . 49.7 mm -98.32 161.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 37' ' ' ILE . 15.0 p-10 -113.1 168.06 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.98 -66.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.88 171.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.68 -155.94 15.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.4 40.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HB3' HG22 ' A' ' 59' ' ' THR . 2.5 mttp -119.76 166.52 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 110' ' ' PRO . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.714 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.763 ' HA ' HG13 ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.779 ' HD3' HG22 ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.706 HG12 HD21 ' A' ' 48' ' ' LEU . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.714 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 1.006 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.006 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.696 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.024 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.702 ' CE1' HG21 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.643 HG21 HD21 ' A' ' 85' ' ' LEU . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD22 HG12 ' A' ' 114' ' ' VAL . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.525 HG23 ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.1 t-20 -88.88 161.64 16.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 6.6 p90 -33.94 124.06 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.3 Cg_endo -74.99 158.5 98.96 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.995 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -67.74 117.21 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.58 135.42 40.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -93.53 110.72 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 66' ' ' LEU . 85.5 mt -68.52 89.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 61' ' ' PRO . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 94' ' ' LEU . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.522 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.767 HG12 HD22 ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.779 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 86' ' ' LEU . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -99.75 168.48 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -58.57 -151.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.72 85.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.0 t -141.93 -58.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.658 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.7 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.1 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.652 ' HB3' HG23 ' A' ' 113' ' ' THR . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.622 HG21 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.7 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 1.0 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.941 ' N ' HD13 ' A' ' 69' ' ' LEU . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' A' ' 78' ' ' TYR . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.758 ' HB2' HG12 ' A' ' 73' ' ' VAL . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.536 HG22 ' CD2' ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 HD21 ' A' ' 108' ' ' LEU . 38.6 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' HIS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.896 ' CE1' HD23 ' A' ' 97' ' ' LEU . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.896 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 101' ' ' ILE . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 98' ' ' ASP . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 61' ' ' PRO . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' HD12 ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 94' ' ' LEU . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 47' ' ' MET . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.419 HG11 HD21 ' A' ' 69' ' ' LEU . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.812 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.499 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.782 HG21 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.932 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' CG ' HD22 ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.782 ' CE1' HG21 ' A' ' 58' ' ' ILE . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' HD11 ' A' ' 85' ' ' LEU . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.925 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 66' ' ' LEU . 47.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' HIS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.856 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.856 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD1' HD12 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 63' ' ' GLN . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.427 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.439 ' CB ' HD12 ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' A' ' 48' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.875 ' HB3' HD11 ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 25' ' ' MET . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.71 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.3 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.827 HD13 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.71 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.905 HG21 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.827 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.955 ' CD2' HG22 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.869 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' HD21 ' A' ' 94' ' ' LEU . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 87' ' ' THR . 5.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.623 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.905 ' CE1' HG21 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 102' ' ' THR . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 63' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.899 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 48' ' ' LEU . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.869 ' CB ' HD11 ' A' ' 86' ' ' LEU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.2 tttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.832 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.797 HG21 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 60' ' ' LEU . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' THR . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.757 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD21 ' HB3' ' A' ' 94' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.797 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.75 HG11 HD21 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.814 ' CD2' HG22 ' A' ' 116' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.719 ' HB3' HD21 ' A' ' 66' ' ' LEU . 42.7 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 1.049 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.049 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' H ' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.659 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.454 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 63' ' ' GLN . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.773 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.814 HG22 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.88 ' HB3' HD11 ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.825 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.647 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' CZ ' HG21 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.579 HD13 HD21 ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.621 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 67' ' ' LEU . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.692 HG11 HD21 ' A' ' 85' ' ' LEU . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.1 t30 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.656 ' N ' HD22 ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.849 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.743 ' CD2' HG22 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.849 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 1.3 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.932 ' CE1' HD23 ' A' ' 97' ' ' LEU . 15.6 p80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 61' ' ' PRO . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 ' HB3' ' A' ' 47' ' ' MET . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.743 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.807 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.849 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.698 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.849 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.87 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.786 HD21 HG21 ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.904 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.5 t60 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 78' ' ' TYR . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.867 ' HB2' HG12 ' A' ' 73' ' ' VAL . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG3' HD21 ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 73' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.725 ' NE2' HD23 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.725 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.955 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 69' ' ' LEU . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.547 HG22 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.693 ' CB ' HD11 ' A' ' 86' ' ' LEU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' THR . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' ALA . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.571 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.965 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 102' ' ' THR . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.965 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 66' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.85 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.628 ' CE1' HG21 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 85' ' ' LEU . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' PRO . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 85' ' ' LEU . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.776 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.806 HG23 HD11 ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.807 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.743 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.743 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.85 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.486 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 61' ' ' PRO . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.5 ' CD2' HG22 ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.524 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.776 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.8 ' HB3' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.788 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.633 HG21 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.939 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.585 ' CG ' HD22 ' A' ' 67' ' ' LEU . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.633 ' CE1' HG21 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.768 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB3' HD11 ' A' ' 66' ' ' LEU . 30.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.987 ' CE1' HD23 ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.987 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 105' ' ' GLU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 63' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 61' ' ' PRO . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.632 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 115' ' ' PHE . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE1' HG22 ' A' ' 113' ' ' THR . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.738 ' HB3' HD11 ' A' ' 86' ' ' LEU . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.768 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' HB ' HD23 ' A' ' 67' ' ' LEU . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' A' ' 58' ' ' ILE . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 73' ' ' VAL . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.505 ' CG2' HD11 ' A' ' 94' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.822 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.563 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.951 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.5 p80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.951 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 66' ' ' LEU . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 61' ' ' PRO . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.52 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.801 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.8 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.7 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.928 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.601 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 85' ' ' LEU . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.69 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 73' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.848 HG23 HD21 ' A' ' 94' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' NE2' HD23 ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.928 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.884 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 108' ' ' LEU . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.85 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD21 HD13 ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.642 ' HG2' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.889 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 43' ' ' LYS . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CB ' HD11 ' A' ' 103' ' ' LEU . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.991 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.991 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.893 HD21 ' HB3' ' A' ' 94' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.784 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.889 ' CE1' HG21 ' A' ' 58' ' ' ILE . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 85' ' ' LEU . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.681 ' C ' HD12 ' A' ' 85' ' ' LEU . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.756 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.893 ' HB3' HD21 ' A' ' 66' ' ' LEU . 61.5 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.757 ' NE2' HD23 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.757 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 101' ' ' ILE . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.784 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.534 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 105' ' ' GLU . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD13 HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.642 HG23 ' HG2' ' A' ' 47' ' ' MET . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.506 HG13 ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 85' ' ' LEU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.816 ' HG2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.749 ' C ' HD22 ' A' ' 15' ' ' LEU . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 14' ' ' GLY . 3.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.553 ' HB3' HG23 ' A' ' 113' ' ' THR . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.791 HG21 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.988 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.054 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.714 ' CD2' HD23 ' A' ' 97' ' ' LEU . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD12 ' HB ' ' A' ' 70' ' ' VAL . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.794 ' N ' HD13 ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.791 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 116' ' ' VAL . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 85' ' ' LEU . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.643 ' CG2' HD21 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.679 ' HA ' HD21 ' A' ' 97' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.603 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.054 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' HD12 ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 112' ' ' GLU . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' A' ' 108' ' ' LEU . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 85' ' ' LEU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.699 ' CB ' HD11 ' A' ' 86' ' ' LEU . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 17' ' ' ALA . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.74 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB3' HG23 ' A' ' 113' ' ' THR . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.747 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.615 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.984 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 69' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD12 ' HB ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.946 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.808 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.872 ' HG3' HD21 ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 69' ' ' LEU . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.872 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CG2' HD21 ' A' ' 94' ' ' LEU . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.529 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 HD21 ' CG2' ' A' ' 87' ' ' THR . 2.0 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.787 ' CE1' HD23 ' A' ' 97' ' ' LEU . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.653 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' A' ' 67' ' ' LEU . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 98' ' ' ASP . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.615 HD11 ' CB ' ' A' ' 60' ' ' LEU . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.833 HG22 ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.561 HG12 HD22 ' A' ' 85' ' ' LEU . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.746 HG22 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.768 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.414 ' HB3' HG23 ' A' ' 113' ' ' THR . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.944 HG21 ' CE1' ' A' ' 72' ' ' HIS . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 1.009 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 114' ' ' VAL . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' A' ' 58' ' ' ILE . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.774 HG11 HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.774 HD21 HG11 ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 94' ' ' LEU . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD11 ' CG2' ' A' ' 87' ' ' THR . 17.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.833 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.603 HD11 ' CB ' ' A' ' 60' ' ' LEU . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 47' ' ' MET . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.494 ' CD ' HD11 ' A' ' 86' ' ' LEU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 59' ' ' THR . 2.3 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.616 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.601 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.783 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.753 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' HD23 ' A' ' 67' ' ' LEU . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.616 ' CE1' HG21 ' A' ' 58' ' ' ILE . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.697 HG11 HG21 ' A' ' 116' ' ' VAL . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' HB2' HG12 ' A' ' 73' ' ' VAL . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 85' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.72 HD11 ' OE1' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.785 HG23 HD11 ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 87' ' ' THR . 13.4 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.601 ' H ' HD22 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.621 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.621 ' CZ ' HG22 ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.697 HG21 HG11 ' A' ' 73' ' ' VAL . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.72 ' OE1' HD11 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.482 ' C ' HD12 ' A' ' 22' ' ' ILE . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.727 ' H ' HG22 ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' ' 59' ' ' THR . 4.1 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 45' ' ' GLN . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.708 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HG2' HD12 ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.972 HG21 ' CE1' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.982 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.087 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 94' ' ' LEU . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.97 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.972 ' CE1' HG21 ' A' ' 58' ' ' ILE . 18.9 t60 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.803 HG12 ' HB2' ' A' ' 78' ' ' TYR . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.803 ' HB2' HG12 ' A' ' 73' ' ' VAL . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.518 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.473 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.749 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.879 HD22 HG12 ' A' ' 114' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.464 ' CG2' HD21 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' A' ' 66' ' ' LEU . 17.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.737 ' NE2' HD23 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.737 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 70' ' ' VAL . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.429 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.579 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.087 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.579 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 47' ' ' MET . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.879 HG12 HD22 ' A' ' 85' ' ' LEU . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.681 HG22 HD21 ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.726 ' CB ' HD11 ' A' ' 86' ' ' LEU . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.717 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' HD13 ' A' ' 48' ' ' LEU . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.9 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 114' ' ' VAL . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.684 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 85' ' ' LEU . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.805 ' CD2' HG11 ' A' ' 116' ' ' VAL . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.769 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.998 ' CD2' HG22 ' A' ' 116' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 108' ' ' LEU . 17.7 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.939 ' CE1' HD23 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.939 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 60' ' ' LEU . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 46' ' ' LEU . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.949 HG22 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 113' ' ' THR . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.998 HG22 ' CD2' ' A' ' 85' ' ' LEU . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.795 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.636 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 66' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD11 HG11 ' A' ' 114' ' ' VAL . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.826 ' HB ' HD23 ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.623 ' CE1' HG21 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.952 HG21 HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.745 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.952 HD21 HG21 ' A' ' 73' ' ' VAL . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.745 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.495 HG23 HD11 ' A' ' 94' ' ' LEU . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 87' ' ' THR . 32.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.894 ' CE1' HD23 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.894 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.479 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 46' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.68 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.717 ' CZ ' HG22 ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 85' ' ' LEU . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.582 ' HB3' HG23 ' A' ' 113' ' ' THR . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 ' CG2' HD21 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.762 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.611 ' NE2' HG21 ' A' ' 58' ' ' ILE . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.59 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ASN . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.05 HG23 HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.05 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.769 ' NE2' HD23 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 46' ' ' LEU . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' A' ' 94' ' ' LEU . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 47' ' ' MET . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.66 HG22 HD22 ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.67 ' CB ' HD11 ' A' ' 86' ' ' LEU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HB3' HG22 ' A' ' 59' ' ' THR . 2.5 mttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 110' ' ' PRO . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.714 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.763 ' HA ' HG13 ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.779 ' HD3' HG22 ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.706 HG12 HD21 ' A' ' 48' ' ' LEU . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.714 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 1.006 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.006 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.696 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.024 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.702 ' CE1' HG21 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.643 HG21 HD21 ' A' ' 85' ' ' LEU . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD22 HG12 ' A' ' 114' ' ' VAL . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.525 HG23 ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 66' ' ' LEU . 85.5 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 61' ' ' PRO . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 94' ' ' LEU . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.522 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.767 HG12 HD22 ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.779 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 86' ' ' LEU . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.36 166.17 23.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.6 167.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 156.66 7.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 178.68 167.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.47 170.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.44 23.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 11.5 t -173.27 164.32 4.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.413 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 178.83 167.84 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.48 150.48 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -178.5 163.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -178.16 125.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -162.69 176.1 10.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.62 162.08 14.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.744 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -170.94 136.07 1.07 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.01 160.01 40.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.44 173.5 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.84 -178.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.91 167.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 137.79 48.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -120.95 -67.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.1 mt -61.3 131.57 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 159.4 17.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 25' ' ' MET . 3.8 mt-10 -79.62 66.71 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER 29.58 90.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.02 151.24 39.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.02 -178.98 4.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.82 137.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 167.47 19.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 107.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 173.72 156.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.56 -145.46 4.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.5 p -77.54 -153.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.693 ' H ' HG22 ' A' ' 33' ' ' VAL . 9.9 p -158.94 118.1 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -122.78 169.48 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.25 -137.45 4.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mp 39.42 87.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.02 161.33 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.03 157.58 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 122.28 26.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.05 -172.63 25.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.85 15.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.445 1.761 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.658 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -106.88 148.35 28.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -90.94 116.99 29.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.7 ' HG3' HG23 ' A' ' 59' ' ' THR . 3.1 mt-30 -84.82 114.32 22.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.2 mm? -110.41 134.25 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.652 ' HB3' HG23 ' A' ' 113' ' ' THR . 12.2 ttm -103.7 94.81 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.694 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 18.5 mt -69.79 120.01 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -118.99 110.47 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -80.31 156.25 73.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.03 -33.33 4.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.43 -24.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.31 -20.74 8.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -83.0 162.63 21.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -140.43 170.9 14.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -164.35 131.33 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -105.65 138.09 42.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.622 HG21 ' CE1' ' A' ' 72' ' ' HIS . 5.8 pt -136.27 171.75 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.7 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -129.29 120.67 26.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 42.3 mt -126.68 161.58 52.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 1.0 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 152.91 41.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 9.8 mt-10 -71.81 -19.42 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -8.89 40.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -65.6 132.19 48.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.6 mmmm -63.09 134.18 55.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.62 -41.26 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -48.32 -40.18 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.84 -51.05 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.86 -39.13 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.941 ' N ' HD13 ' A' ' 69' ' ' LEU . 83.1 t -61.24 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -58.69 -41.16 85.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 17.7 t60 -53.21 -61.8 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' A' ' 78' ' ' TYR . 34.9 t -60.36 -22.45 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -71.21 -48.61 50.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -25.83 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -62.64 -43.81 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 140.92 46.85 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.758 ' HB2' HG12 ' A' ' 73' ' ' VAL . 83.8 m-85 -160.54 98.57 1.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 131.29 14.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -49.54 -58.37 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -41.52 -28.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.9 mtt180 -97.8 -69.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 79' ' ' PRO . 28.6 m-85 -92.37 154.49 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.6 pt-20 -120.32 143.45 48.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 69' ' ' LEU . 40.5 mt -93.56 133.2 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.792 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -122.33 172.95 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.536 HG22 ' CD2' ' A' ' 108' ' ' LEU . 11.9 p -112.28 -166.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.88 -50.02 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 2.0 p90 -178.88 135.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.04 158.69 98.8 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.987 0.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.85 107.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.468 ' HD2' HD22 ' A' ' 97' ' ' LEU . 4.4 ttp-105 -128.27 127.06 42.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 16.6 mttt -87.29 95.53 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD11 HD21 ' A' ' 108' ' ' LEU . 38.6 mt -54.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' LYS . 46.9 t -179.35 -68.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.954 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.896 ' CE1' HD23 ' A' ' 97' ' ' LEU . 5.2 p80 -38.77 -59.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.896 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -39.53 -87.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 101' ' ' ILE . 1.3 m-20 172.76 168.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.1 m-85 -109.72 -28.05 9.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -64.69 -12.01 41.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 98' ' ' ASP . 4.5 pt -71.89 -163.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.8 p -121.78 152.44 39.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 61' ' ' PRO . 10.6 mt -40.25 -29.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.1 tt0 -71.18 -57.0 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.471 ' CB ' HD12 ' A' ' 101' ' ' ILE . 55.9 mm-40 -48.96 -51.64 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.79 -20.18 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.449 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . 80.77 54.95 3.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 94' ' ' LEU . 11.4 mt -130.16 25.23 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 13.7 p -127.95 147.38 62.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -54.05 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.018 -0.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -114.28 128.82 56.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.01 157.34 44.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.652 HG23 ' HB3' ' A' ' 47' ' ' MET . 7.5 m -99.82 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.419 HG11 HD21 ' A' ' 69' ' ' LEU . 66.1 t -93.11 114.11 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -102.17 141.36 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 85' ' ' LEU . 17.4 t -97.92 123.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.23 159.62 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.27 129.42 35.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -101.99 144.74 30.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.25 -152.58 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.16 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.05 87.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 t 70.65 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.39 170.71 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -156.05 171.44 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -153.23 5.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -166.4 167.47 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.35 169.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.14 168.0 35.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -173.31 165.2 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.95 175.46 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.57 124.05 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.409 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -95.46 170.57 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -140.2 159.22 42.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.68 126.28 41.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.78 167.1 45.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.99 155.87 72.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 130.33 42.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -144.64 124.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -162.45 165.14 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.07 83.37 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -119.32 -60.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.83 151.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.556 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -80.63 129.03 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.62 76.88 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 151.61 91.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 162.0 37.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.84 39.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.74 165.12 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 100.73 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.45 95.17 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.4 t0 58.26 164.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.77 134.82 3.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.7 t -92.24 87.77 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.9 t 41.32 87.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.49 113.21 20.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.6 148.88 5.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -57.04 113.8 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -159.99 134.66 7.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -40.67 125.06 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 48.57 83.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.3 -143.18 7.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.97 8.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -61.22 169.68 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -107.74 130.67 54.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.812 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -100.35 104.77 16.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -107.79 128.78 54.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.499 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.7 OUTLIER -101.03 97.52 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 15.5 mt -70.0 131.8 44.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -129.19 103.64 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.34 158.14 87.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' C ' ' N ' ' A' ' 53' ' ' GLY . 18.3 Cg_endo -74.98 -37.78 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.7 -30.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 51' ' ' PRO . . . 126.09 -15.5 6.9 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -90.53 161.46 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -135.34 170.64 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -159.41 131.57 6.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -104.86 131.41 52.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.782 HG21 ' CE1' ' A' ' 72' ' ' HIS . 2.0 pt -135.33 173.5 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -133.66 137.81 45.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 45.7 mt -143.85 160.44 50.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.99 130.68 13.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 16.8 mt-10 -43.02 -47.55 5.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -57.15 -30.7 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.932 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -42.82 130.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -68.27 137.21 54.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -41.74 -38.38 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -52.44 -40.85 62.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.21 -51.33 33.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 48' ' ' LEU . 4.9 tp -66.76 -37.25 84.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 67' ' ' LEU . 79.3 t -65.79 -42.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' CG ' HD22 ' A' ' 67' ' ' LEU . 5.8 mttt -63.87 -36.02 82.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.782 ' CE1' HG21 ' A' ' 58' ' ' ILE . 8.7 t60 -53.2 -66.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' HD11 ' A' ' 85' ' ' LEU . 10.8 m -55.8 -37.92 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.64 -48.13 49.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 t -71.54 -33.13 68.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 44.5 mmtt -56.41 -36.19 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.589 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.8 49.38 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.3 m-85 -159.71 95.61 1.63 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 131.14 13.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -43.84 -61.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 80' ' ' ASN . 6.0 pt-20 -38.21 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' ASN . 16.3 mtt180 -96.17 -79.3 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 58.2 m-85 -91.16 144.8 25.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HG3' HD21 ' A' ' 86' ' ' LEU . 12.5 pt-20 -110.4 156.33 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.925 ' CD2' HG22 ' A' ' 116' ' ' VAL . 27.1 mt -102.38 129.76 48.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.32 173.24 7.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.7 p -112.78 -160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -97.65 -44.21 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.2 p90 -178.02 134.03 0.33 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.02 159.21 98.33 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.036 -2.485 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 82.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' PRO . 0.9 OUTLIER -105.25 136.65 44.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' SER . 20.7 mttt -90.92 97.97 11.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 66' ' ' LEU . 47.6 mt -53.23 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 11.6 t -177.49 -65.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.856 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.4 p80 -38.46 -58.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.856 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.27 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.05 157.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD1' HD12 ' A' ' 66' ' ' LEU . 21.5 m-30 -103.86 7.25 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -96.68 -7.02 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 102' ' ' THR . 3.0 pt -78.92 -153.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 63' ' ' GLN . 14.5 p -125.19 160.62 28.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -49.3 -22.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 27.5 tt0 -79.4 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.439 ' CB ' HD12 ' A' ' 101' ' ' ILE . 4.5 mt-10 -48.76 -50.75 32.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.13 -23.73 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 87.88 44.33 5.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.621 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -113.36 -17.45 12.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.1 p -86.14 148.4 47.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.05 -41.49 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.977 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -137.9 125.23 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 16.3 tp10 -135.1 155.29 50.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.3 m -91.76 107.59 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' A' ' 48' ' ' LEU . 42.2 t -86.78 123.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -113.06 126.38 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.925 HG22 ' CD2' ' A' ' 85' ' ' LEU . 43.0 t -87.05 111.01 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.875 ' HB3' HD11 ' A' ' 86' ' ' LEU . 21.1 tt0 -120.98 156.07 32.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.5 mt-10 -73.78 119.2 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.1 t -62.24 124.65 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.41 158.32 34.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 106.62 2.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -62.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 161.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 129.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -175.63 159.83 2.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.29 -157.79 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.16 148.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.75 . . . . 0.0 110.019 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -178.11 160.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.66 142.99 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -153.72 152.33 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.8 136.23 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.47 155.47 5.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -143.68 149.19 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -179.97 118.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.644 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -175.53 147.2 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.05 139.15 7.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -91.93 156.15 42.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.95 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' PRO . . . 178.9 42.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.69 111.52 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -177.82 154.77 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.9 p -67.58 134.9 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -109.01 -59.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -46.82 147.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 25' ' ' MET . 9.1 tp -111.41 130.27 55.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.8 77.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -171.69 121.92 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.93 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.586 1.835 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.45 3.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.56 163.56 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.72 6.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.27 131.01 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 178.79 141.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.599 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -161.12 99.42 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 33' ' ' VAL . 2.0 p -65.01 78.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 32' ' ' GLY . 3.6 p -134.91 123.62 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -147.58 161.23 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.86 98.23 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.7 174.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -173.06 111.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -42.01 140.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -157.48 114.06 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.55 -140.36 5.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.1 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER -95.46 156.36 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -100.06 117.01 33.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.71 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.3 mt-30 -88.55 113.42 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.1 mm? -110.31 126.51 54.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 ttm -94.37 94.06 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.699 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 14.4 mt -70.18 125.11 25.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -123.33 105.63 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -75.12 157.06 85.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.81 5.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -49.17 -23.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.51 -23.01 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -82.15 161.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.331 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.6 ptt-85 -136.68 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -162.31 131.05 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.14 123.83 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.827 HD13 ' CE1' ' A' ' 72' ' ' HIS . 3.5 pt -124.44 165.2 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.71 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -123.32 126.44 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 30.6 mt -132.6 159.09 73.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.571 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 131.83 14.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -44.04 -47.46 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -57.86 -30.07 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.899 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -41.47 133.72 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -69.23 138.03 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -43.38 -37.67 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.01 -38.96 71.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.47 -48.19 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 48' ' ' LEU . 3.3 tp -70.82 -30.41 66.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.905 HG21 ' CE1' ' A' ' 99' ' ' TYR . 89.6 t -70.61 -50.22 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -59.16 -31.38 68.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.827 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.4 t60 -56.51 -68.35 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 85' ' ' LEU . 7.7 m -56.41 -39.01 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -44.73 -45.73 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -77.78 -35.8 51.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.6 mmtt -48.16 -35.05 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.99 44.14 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 68.2 m-85 -159.48 97.91 1.58 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.04 131.5 14.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.1 t30 -42.97 -62.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.77 -29.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -96.61 -73.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 28.2 m-85 -100.03 130.27 46.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.3 pt-20 -98.22 150.41 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.955 ' CD2' HG22 ' A' ' 116' ' ' VAL . 24.7 mt -93.16 134.11 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.869 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.6 173.59 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' HD21 ' A' ' 94' ' ' LEU . 22.6 p -115.91 -165.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.9 t-20 -89.72 178.08 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 15.2 p90 -34.86 141.69 0.26 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -74.98 -43.06 0.73 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.023 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.08 89.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -104.2 145.01 30.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 11.0 mttt -107.79 126.98 53.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 87' ' ' THR . 5.2 mt -88.65 96.24 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.43 -67.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.623 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.7 p80 -40.35 -56.23 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -40.32 -90.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 175.74 -174.74 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.905 ' CE1' HG21 ' A' ' 70' ' ' VAL . 8.1 m-85 -128.79 3.53 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -97.14 -14.75 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 102' ' ' THR . 2.7 pt -68.57 -160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 63' ' ' GLN . 15.1 p -122.74 155.61 36.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.899 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -42.96 -27.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 17.3 tt0 -74.11 -57.27 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 4.8 mt-10 -48.19 -51.85 23.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.77 -20.42 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.42 6.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -110.43 -16.43 13.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.1 m -91.42 147.16 34.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -75.03 -54.78 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.031 0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -122.51 121.21 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -129.86 165.41 22.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 55.9 m -106.9 112.7 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 48' ' ' LEU . 95.2 t -91.5 133.83 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 113' ' ' THR . 98.2 m-85 -123.48 122.95 39.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 85' ' ' LEU . 47.2 t -85.38 114.44 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.869 ' CB ' HD11 ' A' ' 86' ' ' LEU . 26.7 tt0 -124.63 157.83 34.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 tt0 -77.24 114.97 16.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 t -56.57 134.54 54.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.03 -146.05 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.53 7.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.8 p -137.9 173.49 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t 58.91 -91.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.69 159.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.957 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.17 170.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 149.29 5.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.89 153.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -177.54 153.08 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.23 177.42 35.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -154.73 164.11 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 10' ' ' THR . . . -157.04 -66.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 9' ' ' ALA . 5.3 t 46.59 -173.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 5.1 p-10 177.93 174.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -175.53 168.03 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.61 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -179.97 165.44 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.61 -139.17 4.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -163.24 154.51 14.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.0 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.9 127.9 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.64 155.81 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -153.62 161.66 41.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 p -114.14 108.19 16.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.43 -60.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -74.01 137.13 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -127.15 152.38 47.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.96 73.35 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.0 OUTLIER 60.96 135.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.99 145.36 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.771 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 136.93 21.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -122.7 128.1 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -167.77 109.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.87 140.3 53.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t0 64.54 125.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.84 159.15 28.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.5 t -94.72 84.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 34' ' ' VAL . 11.4 p -121.12 115.78 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.8 73.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -90.17 -99.59 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 37' ' ' ILE . 9.4 mt 39.41 65.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.44 104.16 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.2 p -40.32 142.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -179.96 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.58 -155.88 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.82 8.14 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.2 tttp -74.28 161.83 29.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -99.51 125.59 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.832 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.3 mt-30 -98.24 123.37 42.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -119.33 151.53 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.2 ttm -120.09 97.29 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -69.22 121.39 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 1.8 mmm180 -117.73 98.83 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 64.9 m-85 -72.78 154.71 91.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -6.84 18.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.433 1.754 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.71 3.64 21.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.83 -14.4 61.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -88.53 154.73 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -135.6 -176.98 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.9 tt0 -175.84 129.2 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -96.53 139.59 32.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.797 HG21 ' CE1' ' A' ' 72' ' ' HIS . 9.0 pt -135.63 172.96 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.832 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.73 116.75 13.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 60' ' ' LEU . 16.7 mt -124.88 156.64 68.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 135.04 18.52 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' LEU . 14.9 mt-10 -44.22 -50.96 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' O ' HG22 ' A' ' 102' ' ' THR . 1.5 pt20 -54.05 -29.49 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.757 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -45.4 135.51 6.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.8 mtmm -72.87 140.67 47.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD21 ' HB3' ' A' ' 94' ' ' LEU . 5.7 tp -45.15 -36.2 3.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.7 -39.14 73.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.44 -48.32 26.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 48' ' ' LEU . 3.4 tp -67.62 -30.82 70.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 99' ' ' TYR . 61.8 t -70.76 -45.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -61.32 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.797 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.9 t60 -61.38 -69.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.629 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.75 HG11 HD21 ' A' ' 85' ' ' LEU . 5.2 m -50.61 -41.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -48.17 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.8 m -70.37 -33.17 71.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 57.9 mmtt -56.85 -22.01 33.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 113.47 50.2 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 74.4 m-85 -161.1 93.74 1.45 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.94 131.78 14.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -41.06 -61.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.1 pt-20 -36.29 -33.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' ASN . 13.5 mtt180 -93.66 -81.61 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 57.9 m-85 -90.56 142.37 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 86' ' ' LEU . 11.0 pt-20 -109.9 155.03 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.814 ' CD2' HG22 ' A' ' 116' ' ' VAL . 75.7 mt -98.09 129.56 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -119.4 173.23 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 56.4 p -119.25 179.5 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.8 t-20 -77.05 174.78 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 21.0 p90 -31.91 138.54 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -75.01 -48.65 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.021 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.46 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -110.05 129.99 55.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 19.6 mttt -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.719 ' HB3' HD21 ' A' ' 66' ' ' LEU . 42.7 mt -49.01 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 179.69 -60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 1.049 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.0 p80 -38.93 -66.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.049 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.32 -89.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' H ' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 175.85 167.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.659 ' CE1' HG21 ' A' ' 70' ' ' VAL . 5.2 m-85 -110.86 5.29 20.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.454 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -94.9 -14.02 24.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -70.0 -162.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 63' ' ' GLN . 17.3 p -122.4 158.56 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -46.25 -23.89 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 38.6 tt0 -77.44 -55.7 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 8.3 mt-10 -48.2 -51.52 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -54.93 -19.3 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 81.63 25.84 52.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -86.3 -26.7 24.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 6.7 p -74.89 150.01 85.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.97 -35.11 3.03 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.019 -0.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.71 133.93 29.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.3 tp10 -141.49 148.14 38.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.634 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 17.1 m -87.88 112.09 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.773 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -88.77 124.17 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.634 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 79.4 m-85 -112.24 130.38 55.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.814 HG22 ' CD2' ' A' ' 85' ' ' LEU . 39.0 t -94.01 105.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.88 ' HB3' HD11 ' A' ' 86' ' ' LEU . 23.1 tt0 -116.64 149.28 40.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.9 mt-10 -66.46 116.57 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.6 t -68.33 134.95 51.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.34 160.77 32.49 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.1 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.0 t 62.47 123.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -137.3 165.69 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.06 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.54 171.02 18.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.8 172.27 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.74 -156.6 9.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -170.41 172.78 5.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.055 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -147.88 174.26 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -165.85 10.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 171.6 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 110.401 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.02 177.22 6.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 t -168.34 131.11 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -63.6 162.75 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -174.26 178.14 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.553 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 66.45 121.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 165.6 91.9 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -157.29 151.89 20.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.39 170.05 16.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -133.31 120.87 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -102.95 168.23 9.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.4 175.74 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -146.14 -49.34 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mm -95.14 144.37 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.0 mm? -95.98 169.56 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.78 55.7 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.33 125.14 11.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.02 151.79 39.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.69 98.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.36 149.79 19.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.47 173.19 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -150.93 102.57 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.36 132.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.4 t -95.69 88.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.1 p -128.37 119.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -109.2 138.36 45.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.55 107.71 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 mt -98.01 122.28 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -139.31 142.63 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 t -93.15 113.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.62 126.97 24.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.0 -147.19 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.03 17.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -88.02 177.77 6.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -114.89 120.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.825 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -88.6 119.11 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 44' ' ' ALA . 1.7 mm? -117.21 151.86 36.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.647 ' HB3' HG23 ' A' ' 113' ' ' THR . 0.0 OUTLIER -124.17 97.59 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -70.08 120.39 15.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' CZ ' HG21 ' A' ' 113' ' ' THR . 0.0 OUTLIER -114.2 100.71 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -73.83 156.74 88.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.03 -1.02 10.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 13.79 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.09 1.45 63.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -102.53 144.77 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -131.6 165.37 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -154.09 140.56 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.91 146.36 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.579 HD13 HD21 ' A' ' 48' ' ' LEU . 12.4 pt -144.09 170.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.825 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.82 106.07 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 27.7 mt -117.7 160.39 38.57 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.621 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.06 142.26 27.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 19.4 mt-10 -58.39 -30.67 66.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -8.7 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.621 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -63.77 132.19 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -64.32 136.9 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.4 tp -45.58 -26.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -62.8 -41.04 99.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.82 -47.99 41.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.96 -30.52 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 67' ' ' LEU . 44.5 t -73.94 -42.95 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.26 -38.12 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' NE2' HG21 ' A' ' 58' ' ' ILE . 53.1 t60 -58.26 -65.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.692 HG11 HD21 ' A' ' 85' ' ' LEU . 35.3 t -54.11 -23.15 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.96 -45.75 84.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.0 m -72.98 -16.69 61.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' CE ' ' NE2' ' A' ' 72' ' ' HIS . 67.4 mmtt -70.69 -31.1 67.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.593 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 126.13 41.87 0.32 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 42.5 m-85 -156.07 100.6 2.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -75.02 127.5 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.1 t30 -43.12 -63.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.656 ' N ' HD22 ' A' ' 80' ' ' ASN . 4.8 pt-20 -38.22 -30.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 15.1 mtt-85 -94.9 -68.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 32.4 m-85 -93.81 152.03 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.849 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.1 pt-20 -120.38 147.48 45.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.743 ' CD2' HG22 ' A' ' 116' ' ' VAL . 94.9 mt -97.62 134.63 40.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.849 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -128.63 173.85 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.0 p -111.02 163.79 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.545 ' N ' ' CE1' ' A' ' 115' ' ' PHE . 1.3 p30 -53.12 161.06 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.519 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 39.8 p90 -29.5 136.82 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.02 -57.08 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.963 0.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.608 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER 168.35 148.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 89.7 mtt-85 -147.3 107.17 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 31.6 mttt -69.39 85.08 0.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.2 mt -58.76 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -170.05 -61.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.932 ' CE1' HD23 ' A' ' 97' ' ' LEU . 15.6 p80 -39.36 -58.19 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -43.97 -80.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 163.9 162.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -108.87 0.71 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -88.32 -14.42 38.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -69.31 -162.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 104' ' ' GLN . 3.9 p -119.47 152.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 61' ' ' PRO . 13.8 mt -40.82 -27.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' C ' ' A' ' 102' ' ' THR . 10.3 tt0 -73.53 -55.58 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.3 mt-10 -47.71 -51.26 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.546 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -54.24 -28.81 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.78 42.63 5.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.546 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -110.39 -20.78 12.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -82.18 150.97 65.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.05 -39.82 1.36 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.976 0.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -134.35 128.31 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 41.4 tp10 -143.54 154.92 44.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.647 HG23 ' HB3' ' A' ' 47' ' ' MET . 89.1 m -94.53 108.47 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.37 119.08 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CE1' ' N ' ' A' ' 88' ' ' ASN . 14.1 m-85 -102.06 136.85 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.743 HG22 ' CD2' ' A' ' 85' ' ' LEU . 15.7 t -95.21 126.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.807 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.4 tt0 -133.82 152.89 52.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.2 mt-10 -75.51 120.13 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -80.74 121.19 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.03 160.85 33.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 61.97 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.56 100.34 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -118.17 122.4 42.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.96 169.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.77 174.68 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.64 174.39 46.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.91 160.58 3.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 0.0 109.965 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.97 162.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 86.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 p -58.41 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 176.02 144.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -179.85 166.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t30 178.37 157.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -174.93 169.97 3.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -168.6 146.23 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.35 67.5 1.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.32 116.99 26.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.58 -179.64 4.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.76 145.51 33.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 168.51 148.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -161.85 83.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -88.72 -58.21 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.11 135.41 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -125.87 171.18 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.67 88.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.5 156.55 30.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.03 149.93 37.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.95 -171.99 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -161.81 166.78 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 6.3 mttp 61.35 -106.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 69.76 -178.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.24 84.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.87 -70.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.5 t -95.79 87.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.03 144.73 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -39.46 142.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -58.02 140.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 39' ' ' VAL . 7.1 p-10 -164.32 169.99 16.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.3 p 31.59 87.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.15 166.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.34 -133.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.95 25.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -54.12 173.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -105.25 118.72 37.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.849 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -89.59 117.81 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.1 mm? -120.87 122.65 40.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 53.8 tpp -88.94 126.46 35.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.698 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 36.0 mt -98.81 120.63 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -117.66 99.88 7.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 92.1 m-85 -76.62 157.23 82.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 54' ' ' LYS . 13.8 m-20 -87.07 45.67 1.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 42.38 25.45 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -123.55 153.29 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -142.21 175.91 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -170.95 127.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -95.79 128.63 42.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.904 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.8 pt -125.23 161.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.849 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -124.54 113.19 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.6 mt -121.08 157.41 55.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.97 131.62 14.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.608 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 26.7 mt-10 -40.9 -51.09 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 102' ' ' THR . 2.6 pt20 -53.87 -33.55 56.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.87 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -39.79 134.3 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -70.75 141.52 51.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 66' ' ' LEU . 9.9 tp -47.91 -27.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.786 HD21 HG21 ' A' ' 114' ' ' VAL . 13.7 tp -69.48 -29.28 66.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.955 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 68.2 t -71.46 -46.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.904 ' CE1' HG21 ' A' ' 58' ' ' ILE . 15.5 t60 -56.78 -62.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.867 HG12 ' HB2' ' A' ' 78' ' ' TYR . 26.9 t -60.17 -19.16 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.84 -51.87 17.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -28.69 63.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -58.35 -45.41 88.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 142.5 44.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.867 ' HB2' HG12 ' A' ' 73' ' ' VAL . 66.0 m-85 -161.42 99.24 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -39.84 -64.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.3 pt-20 -35.34 -34.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -90.38 -78.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 118' ' ' GLU . 98.0 m-85 -88.03 137.88 31.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG3' HD21 ' A' ' 86' ' ' LEU . 14.4 pt-20 -104.56 147.2 27.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 73' ' ' VAL . 89.8 mt -95.8 127.96 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -111.76 173.1 6.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 p -111.89 -175.07 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -86.18 -50.62 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.489 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 46.6 p90 -178.25 134.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.02 158.73 98.8 Favored 'Cis proline' 0 C--N 1.361 1.212 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 107.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 96' ' ' HIS . 3.3 ttt180 -132.31 125.95 32.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.35 94.54 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.9 mt -49.25 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER 172.18 -56.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.725 ' NE2' HD23 ' A' ' 97' ' ' LEU . 24.2 p80 -45.02 -56.74 4.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.725 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.87 -90.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -179.13 148.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.955 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.6 m-30 -95.35 4.26 53.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -98.35 -10.43 23.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -77.97 168.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 p -94.69 154.04 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -42.18 -27.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.445 ' N ' ' C ' ' A' ' 102' ' ' THR . 26.3 tt0 -74.77 -53.67 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 14.5 mm-40 -48.63 -48.98 39.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CA ' HD11 ' A' ' 101' ' ' ILE . . . -55.8 -19.91 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.99 28.3 28.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' GLU . 10.2 mt -91.42 -45.14 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 3.4 p -54.06 149.85 17.03 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.343 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -75.03 -34.05 3.66 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.998 0.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 133.43 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . 3.4 tp10 -138.82 166.41 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 24.1 m -107.22 108.19 19.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 69' ' ' LEU . 61.0 t -90.59 116.11 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CE1' ' O ' ' A' ' 113' ' ' THR . 34.4 m-85 -105.21 129.19 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.547 HG22 ' CD2' ' A' ' 85' ' ' LEU . 9.9 t -84.36 135.44 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.693 ' CB ' HD11 ' A' ' 86' ' ' LEU . 25.5 tt0 -145.41 151.13 37.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 tt0 -74.18 124.17 25.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 3.7 t -80.72 152.64 28.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -69.15 -147.41 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.81 4.7 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.1 p -83.52 169.73 15.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.7 p -115.38 133.27 56.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p 177.44 169.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.35 153.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 137.39 2.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.12 171.11 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.97 171.18 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.49 177.81 20.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -160.82 166.74 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.98 175.18 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.54 160.04 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.91 166.65 24.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -166.92 177.35 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -142.32 170.65 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.84 129.35 4.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.13 160.73 26.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.83 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.13 145.45 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -141.43 147.11 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -164.57 158.88 18.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 m -60.71 124.34 20.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -86.6 -56.62 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -62.55 133.81 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.07 136.62 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.43 60.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 149.34 98.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.99 139.48 24.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.84 107.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -103.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.63 83.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -164.27 122.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.8 157.79 19.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.8 t -96.12 84.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 34' ' ' VAL . 12.6 p -133.04 65.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -123.86 154.62 39.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.33 92.2 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.98 170.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.49 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -40.33 125.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -174.2 129.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.99 -177.93 3.81 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.98 177.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -121.48 119.77 32.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.571 ' HG3' HG23 ' A' ' 59' ' ' THR . 11.2 mt-30 -85.3 121.0 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 44' ' ' ALA . 2.6 mm? -117.98 142.67 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 7.6 ttm -113.81 96.69 5.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.15 116.0 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -111.41 101.77 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.81 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 65.1 m-85 -72.51 154.73 91.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' CE2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -2.51 12.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -86.09 8.5 20.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.8 -16.74 39.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -86.49 152.33 22.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -138.39 172.13 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -163.32 139.89 7.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -102.32 147.68 26.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt -144.37 174.36 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.571 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.01 108.18 7.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.402 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.1 mt -116.26 161.02 33.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.965 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -74.99 149.69 37.12 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.65 -20.73 65.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 102' ' ' THR . 0.9 OUTLIER -88.33 -21.54 24.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.965 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.32 133.94 39.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -65.1 140.32 58.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 66' ' ' LEU . 8.5 tp -48.43 -29.29 3.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.25 -31.25 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -56.61 -47.2 80.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -65.19 -35.34 80.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.85 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 56.1 t -68.7 -44.56 82.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -60.4 -31.18 70.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.628 ' CE1' HG21 ' A' ' 58' ' ' ILE . 43.3 t60 -62.3 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.652 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 85' ' ' LEU . 26.9 m -53.93 -31.66 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -54.85 42.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.9 m -67.57 -19.69 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 39.8 mmtt -71.08 -40.59 71.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 137.39 47.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.81 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 77.8 m-85 -162.87 99.86 1.05 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.02 133.27 16.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.5 t30 -49.64 -64.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 80' ' ' ASN . 3.5 pt-20 -37.05 -31.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 10.6 mtt180 -91.77 -74.57 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' PRO . 31.0 m-85 -96.5 145.0 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 85' ' ' LEU . 7.2 pt-20 -112.43 158.42 19.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.776 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -106.16 140.66 38.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -127.21 173.41 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.806 HG23 HD11 ' A' ' 94' ' ' LEU . 15.0 p -112.55 -173.61 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' PHE . 3.3 t-20 -84.57 -175.81 5.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 1.7 p90 -34.61 137.79 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -75.0 -43.98 0.62 Allowed 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.002 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 169.21 54.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' CB ' ' OG1' ' A' ' 87' ' ' THR . 0.1 OUTLIER -70.46 152.26 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.75 ' C ' HD13 ' A' ' 94' ' ' LEU . 7.8 mttp -125.3 151.2 46.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -123.74 87.34 2.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 t -167.38 -41.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.743 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.1 p80 -69.94 -52.99 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.588 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.743 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -42.93 -89.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -173.8 155.63 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.85 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.2 m-30 -105.23 6.18 32.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -99.98 -9.66 22.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.486 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 6.0 pt -71.67 -170.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.2 p -111.78 150.53 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 61' ' ' PRO . 12.9 mt -39.86 -29.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.76 -54.34 9.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.7 mt-10 -46.12 -54.52 8.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.92 40.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 92.2 24.95 23.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.5 ' CD2' HG22 ' A' ' 87' ' ' THR . 11.3 mt -97.26 24.22 6.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.524 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.9 m -128.27 147.4 63.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -54.33 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.035 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -113.02 128.19 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.93 154.12 45.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.652 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 49.9 m -99.15 116.02 30.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.503 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 17.7 t -89.87 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.652 ' CZ ' HG22 ' A' ' 113' ' ' THR . 97.7 m-85 -142.39 110.98 6.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.776 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.3 t -80.96 108.32 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.8 ' HB3' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -114.5 159.72 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt-10 -70.38 117.31 11.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -78.13 170.32 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.22 -143.4 3.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.38 22.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.762 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.62 168.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 m 61.67 107.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.1 170.08 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -173.37 170.28 4.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 -159.0 9.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -166.99 168.91 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 0.775 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -168.23 169.88 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 167.56 26.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -174.33 163.26 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.98 146.37 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -170.2 153.5 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -103.62 167.01 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -168.48 175.09 6.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -142.71 155.21 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.5 76.79 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.59 119.57 25.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.19 27.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.53 -179.51 6.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -145.08 156.04 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.51 106.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.28 43.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' ILE . 2.9 pt-20 -121.86 95.13 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLU . 1.3 mm 39.23 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 31.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.89 75.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 105.98 24.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.01 151.52 39.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.551 1.816 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.03 4.59 4.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -38.68 126.05 1.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -126.56 150.55 48.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.13 173.86 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 61.89 158.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.06 147.24 4.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.4 t -96.3 83.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.3 p -123.52 66.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -135.29 104.05 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 39.45 -105.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 35' ' ' GLU . 10.4 mt 39.38 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -138.61 152.81 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -111.62 139.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.58 105.97 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -146.75 -152.33 5.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.68 2.02 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 110.974 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -67.28 163.81 19.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -94.77 123.31 38.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.788 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -92.6 116.36 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.4 mm? -114.18 151.52 32.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -123.48 104.3 8.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.43 119.67 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -112.53 107.79 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -77.63 153.46 81.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.2 Cg_endo -75.05 -7.28 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.31 0.95 23.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.63 33.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -84.64 162.77 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -145.3 176.68 9.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -163.36 140.51 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -102.95 150.88 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.633 HG21 ' CE1' ' A' ' 72' ' ' HIS . 16.5 pt -145.27 173.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.2 106.55 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 50.5 mt -117.48 161.43 33.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.939 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.0 155.84 42.93 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' SG ' ' A' ' 109' ' ' CYS . 23.2 mt-10 -70.65 -30.48 67.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 0.8 OUTLIER -79.22 -20.29 48.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.939 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -53.44 132.08 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.76 137.56 57.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.9 OUTLIER -43.71 -36.42 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -53.93 -40.61 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -47.47 -49.81 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 tp -68.96 -32.77 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 67' ' ' LEU . 88.2 t -68.46 -47.78 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.585 ' CG ' HD22 ' A' ' 67' ' ' LEU . 32.7 mttt -59.39 -32.36 70.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.633 ' CE1' HG21 ' A' ' 58' ' ' ILE . 50.7 t60 -57.31 -69.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 85' ' ' LEU . 13.3 m -53.78 -35.31 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -52.21 -48.63 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -28.88 62.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 68.1 mmtt -57.71 -37.84 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.61 48.11 0.09 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 82.9 m-85 -162.03 97.4 1.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.03 129.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -41.51 -62.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.6 pt-20 -38.52 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 79' ' ' PRO . 13.1 mtt180 -95.92 -74.83 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 30.7 m-85 -97.87 132.07 43.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.0 pt-20 -98.71 154.23 18.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.768 ' CD2' HG22 ' A' ' 116' ' ' VAL . 22.4 mt -97.6 132.24 43.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -119.75 173.5 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.7 p -119.25 -169.39 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 89' ' ' PHE . 6.7 t-20 -87.84 174.91 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -31.88 139.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.03 -46.22 0.39 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.959 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 162.48 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -106.41 128.9 54.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 80.0 mttt -90.51 123.48 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB3' HD11 ' A' ' 66' ' ' LEU . 30.3 mt -81.47 83.44 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.84 -65.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.987 ' CE1' HD23 ' A' ' 97' ' ' LEU . 27.6 p80 -40.37 -56.07 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.987 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -44.66 -92.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.23 167.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 66' ' ' LEU . 18.5 m-30 -110.73 3.72 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -95.41 -11.04 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 105' ' ' GLU . 3.1 pt -74.37 -160.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 63' ' ' GLN . 2.2 p -119.6 152.39 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 61' ' ' PRO . 9.1 mt -40.31 -29.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -71.18 -54.28 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.2 mt-10 -52.41 -50.88 61.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.755 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.82 -25.95 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.34 45.53 4.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.632 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 1.2 mm? -111.45 -25.81 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 5.5 m -84.11 146.68 48.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -74.99 -47.42 0.31 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.37 130.98 46.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.7 tp10 -144.35 151.88 39.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 115' ' ' PHE . 2.9 m -96.32 108.29 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 20.8 t -86.21 133.49 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' CE1' HG22 ' A' ' 113' ' ' THR . 96.5 m-85 -114.28 140.02 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 85' ' ' LEU . 12.9 t -105.03 121.94 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.738 ' HB3' HD11 ' A' ' 86' ' ' LEU . 4.2 pt20 -136.1 165.37 25.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -76.94 125.84 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.06 110.48 22.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.73 -150.88 8.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -60.56 109.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 p -112.15 112.84 24.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -159.13 61.59 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -95.18 160.8 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 -175.9 40.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -144.91 -178.83 6.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 0.786 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.88 79.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 167.71 44.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 40.6 p -148.0 172.61 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.71 163.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.8 138.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t30 179.21 144.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 175.57 129.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -151.92 121.55 6.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.93 -155.54 24.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -157.37 141.56 11.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.46 ' O ' HD22 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.97 133.35 16.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 111.023 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 145.2 50.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -130.66 128.68 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 173.33 160.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 p 61.66 163.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -162.31 -60.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -58.82 136.55 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -113.46 139.42 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.57 75.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 tpt -100.24 136.27 20.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -74.97 137.08 21.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.01 -176.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.07 136.51 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.92 172.85 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.97 166.53 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -164.91 163.89 20.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.34 105.36 0.32 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.71 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.4 114.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.28 148.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.93 91.82 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.7 mt -90.22 136.8 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -56.85 111.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 39' ' ' VAL . 2.9 t -85.61 79.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -178.77 148.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.81 -127.03 8.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.759 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.53 158.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -92.19 128.94 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.768 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -102.35 139.83 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 112' ' ' GLU . 0.4 OUTLIER -138.15 159.23 42.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 29.2 ttm -122.7 96.41 5.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 13.4 mt -69.04 127.41 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 115' ' ' PHE . 1.3 mmm180 -123.8 105.29 9.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -76.31 154.03 84.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -12.88 21.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -70.06 -10.25 58.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.46 -22.29 29.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -86.14 164.75 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -138.66 -174.81 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.0 tt0 -174.99 127.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -100.74 136.71 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 72' ' ' HIS . 1.9 pt -136.07 171.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.768 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -132.13 119.84 21.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ALA . 36.3 mt -128.95 161.48 57.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.97 146.64 33.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 15.0 mt-10 -62.24 -30.38 71.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -16.62 58.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -56.35 132.34 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -66.13 135.03 54.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -43.02 -35.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -54.99 -38.4 67.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -49.67 -53.04 26.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.3 tp -65.45 -39.4 91.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.449 ' HB ' HD23 ' A' ' 67' ' ' LEU . 79.7 t -63.94 -36.92 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mttt -69.55 -32.89 71.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.765 ' CE1' HG21 ' A' ' 58' ' ' ILE . 17.9 t60 -57.38 -63.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.651 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 85' ' ' LEU . 18.3 m -58.09 -32.09 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.44 -48.28 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -73.27 -32.98 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.17 -38.5 65.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.568 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 133.45 43.78 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.2 m-85 -156.2 97.3 2.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 132.36 15.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -45.5 -55.29 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -42.08 -27.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 119' ' ' SER . 25.6 mtt180 -100.08 -81.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -89.53 149.15 23.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.3 pt-20 -121.94 157.35 31.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.918 HD11 HG21 ' A' ' 73' ' ' VAL . 1.3 mp -100.06 139.37 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.801 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -129.29 173.53 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.505 ' CG2' HD11 ' A' ' 94' ' ' LEU . 26.4 p -120.65 179.7 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -89.64 162.68 15.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 11.6 p90 -34.29 124.37 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.02 158.03 99.23 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.965 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 86.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.98 138.06 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 94' ' ' LEU . 7.1 mttp -105.06 152.08 23.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.822 ' N ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -122.89 82.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.563 ' HA ' ' CE1' ' A' ' 99' ' ' TYR . 30.2 t -166.59 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.951 ' CE1' HD23 ' A' ' 97' ' ' LEU . 6.5 p80 -57.52 -61.46 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.64 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.951 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -179.94 172.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 66' ' ' LEU . 14.8 m-85 -115.77 -7.58 12.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -82.23 -8.09 59.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 3.0 pt -74.53 -160.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.461 ' C ' ' N ' ' A' ' 104' ' ' GLN . 4.0 p -121.4 151.88 39.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 61' ' ' PRO . 16.5 mt -39.63 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.461 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.9 tt0 -72.01 -55.99 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 3.0 mt-10 -48.0 -52.94 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.42 -19.98 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 84.22 48.3 5.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.8 mt -126.98 25.49 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.523 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 7.9 p -125.96 146.11 54.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.96 -42.2 0.87 Allowed 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.999 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.0 mp0 -124.26 137.62 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.5 tp10 -151.84 143.21 23.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 115' ' ' PHE . 19.5 m -87.4 122.72 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' HB3' ' A' ' 85' ' ' LEU . 46.4 t -94.89 152.72 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.886 ' CE1' HG22 ' A' ' 113' ' ' THR . 85.3 m-85 -144.07 108.98 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.52 HG22 ' HG ' ' A' ' 85' ' ' LEU . 61.5 t -75.91 104.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.801 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.8 tt0 -108.5 157.76 18.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 117' ' ' GLN . 4.8 mt-10 -70.27 119.48 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -98.31 161.95 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.83 157.16 28.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.94 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.9 p -150.42 120.12 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 132.5 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.35 171.48 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -155.83 172.39 18.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.13 -167.2 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -169.2 174.21 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -178.54 175.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 -160.03 21.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 8' ' ' THR . 14.4 t -170.9 99.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.54 147.63 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.66 136.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -173.42 134.09 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.83 174.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.598 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 156.3 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.9 137.42 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 4.0 mm? -98.62 132.16 24.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -74.99 176.34 10.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.09 127.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -150.9 141.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 p30 178.97 147.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t 56.66 106.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.13 -56.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.42 134.47 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -145.17 115.02 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.77 67.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.08 125.44 2.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.2 Cg_endo -75.04 150.67 38.32 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.563 1.823 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.1 Cg_endo -75.0 116.22 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 61.9 131.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -123.11 82.71 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' LYS . . . 67.76 138.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -179.7 117.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.84 147.14 5.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.7 t -94.62 85.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.82 139.45 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.15 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . -168.8 -94.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.2 mt 39.59 89.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -40.38 108.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 1.2 p -42.93 117.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -76.18 78.92 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.21 -136.64 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 119.93 5.83 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -98.06 153.04 18.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.8 119.03 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HG3' HG23 ' A' ' 59' ' ' THR . 5.7 mt-30 -90.13 113.14 24.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 108' ' ' LEU . 1.2 mm? -110.15 134.15 52.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.51 99.2 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -72.15 114.19 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -109.9 102.24 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -73.44 158.3 86.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -24.27 13.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.1 -17.94 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.17 -10.07 33.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -94.9 153.35 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -132.92 168.68 18.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.84 125.37 4.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -87.95 143.17 27.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.601 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.1 pt -138.46 171.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.69 116.31 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 38.6 mt -129.19 154.78 80.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.02 135.33 18.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 103' ' ' LEU . 23.2 mt-10 -46.86 -44.96 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -59.11 -24.61 63.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.928 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -50.26 131.44 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -65.78 138.36 57.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.2 tm? -45.31 -36.83 4.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.7 -35.4 68.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -51.99 -51.38 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.37 -35.46 80.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 75.5 t -64.66 -47.36 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -59.4 -35.89 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.601 ' CE1' HG21 ' A' ' 58' ' ' ILE . 20.4 t60 -57.61 -65.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.897 HG11 HD21 ' A' ' 85' ' ' LEU . 46.8 t -55.32 -25.46 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -69.13 -49.94 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.35 -32.35 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 64.3 mmtt -57.01 -36.66 70.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.528 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 129.78 48.59 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 93.2 m-85 -158.44 98.37 1.76 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.04 132.97 15.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.424 1.75 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.8 t30 -48.91 -54.03 17.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -41.15 -27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 119' ' ' SER . 20.9 mtm180 -102.12 -76.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 44.6 m-85 -93.21 129.43 39.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.69 ' HG3' HD21 ' A' ' 86' ' ' LEU . 8.6 pt-20 -98.26 158.55 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.897 HD21 HG11 ' A' ' 73' ' ' VAL . 88.4 mt -99.01 139.81 34.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -132.53 173.0 11.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.848 HG23 HD21 ' A' ' 94' ' ' LEU . 10.6 p -121.82 179.06 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' PHE . 2.0 t-20 -86.07 158.67 19.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 13.6 p90 -36.56 126.42 0.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.4 Cg_endo -74.94 158.97 98.65 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.01 -0.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 125.34 26.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -140.2 123.37 16.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.646 ' C ' HD22 ' A' ' 94' ' ' LEU . 18.7 mttt -83.4 138.13 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER -101.07 84.36 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.4 t -167.24 -49.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' NE2' HD23 ' A' ' 97' ' ' LEU . 22.6 p80 -55.64 -52.25 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -44.76 -93.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -179.28 173.87 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 2.1 m-30 -117.73 -4.21 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -92.92 -13.07 29.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 2.9 pt -68.43 -161.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.5 p -118.27 155.27 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.928 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -44.58 -25.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 102' ' ' THR . 32.4 tt0 -76.6 -54.94 5.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.4 mt-10 -48.85 -51.06 31.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.884 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.28 -20.07 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 108' ' ' LEU . . . 83.76 43.41 7.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -110.96 -15.39 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 64.1 m -92.25 148.92 37.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.1 Cg_endo -74.96 -55.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.989 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.63 121.91 38.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -134.3 162.99 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 115' ' ' PHE . 18.3 m -106.57 106.47 17.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 98.4 t -85.58 120.54 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 113' ' ' THR . 67.8 m-85 -107.29 137.49 45.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' LEU . 22.7 t -96.29 112.62 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.85 ' HB3' HD11 ' A' ' 86' ' ' LEU . 27.3 tt0 -124.11 145.42 49.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt-10 -65.58 116.39 6.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 8.8 t -60.02 128.92 39.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.06 -153.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.57 2.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.7 90.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.6 p -57.6 143.61 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -136.05 -58.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.53 -58.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -133.43 6.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.26 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -164.74 171.95 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 85.39 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.54 153.89 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.29 166.22 27.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.19 138.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -164.86 153.5 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -175.25 147.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -113.4 166.42 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.62 -53.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD13 ' HD2' ' A' ' 16' ' ' PRO . 1.7 mm? -42.45 122.52 2.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.97 -164.9 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.91 142.55 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.11 151.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -171.6 127.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m 63.41 141.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -170.59 -61.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.95 141.66 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -119.59 161.11 21.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.96 71.17 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.7 149.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.4 Cg_endo -75.04 137.25 21.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.4 Cg_endo -74.94 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -108.63 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.58 136.0 36.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.61 151.27 50.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.06 171.88 13.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.45 -136.68 2.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -163.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 p -153.55 141.47 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.89 178.89 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.3 -129.3 5.96 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 pt -55.4 179.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.69 164.26 12.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.83 -63.79 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -172.1 118.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.46 160.6 9.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.13 13.96 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -55.28 175.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -118.26 129.09 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 110.38 21.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD21 HD13 ' A' ' 103' ' ' LEU . 1.2 mm? -109.86 121.7 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.642 ' HG2' HG23 ' A' ' 113' ' ' THR . 0.3 OUTLIER -94.58 103.72 15.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 12.5 mt -78.27 130.77 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -125.08 105.02 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 59.0 m-85 -75.58 154.84 85.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -29.75 7.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.08 -24.99 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.79 -15.07 8.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -96.66 174.59 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD2' ' CE ' ' A' ' 47' ' ' MET . 16.0 ptt85 -146.48 -175.26 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.8 tt0 -169.56 127.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -101.1 133.86 44.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.889 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.3 pt -137.56 168.41 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.664 HG22 ' HB3' ' A' ' 43' ' ' LYS . 1.5 m -124.58 125.0 43.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CB ' HD11 ' A' ' 103' ' ' LEU . 17.2 mt -128.21 162.19 51.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.991 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.94 146.08 32.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.55 -6.89 22.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 0.6 OUTLIER -115.72 21.11 14.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.991 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -95.66 122.5 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -42.77 138.11 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.893 HD21 ' HB3' ' A' ' 94' ' ' LEU . 4.3 tp -57.9 -15.46 8.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.72 -31.1 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.56 -44.96 77.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.32 -33.68 76.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.784 HG21 ' CZ ' ' A' ' 99' ' ' TYR . 55.4 t -69.66 -45.16 78.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -62.29 -31.62 72.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.889 ' CE1' HG21 ' A' ' 58' ' ' ILE . 21.6 t60 -58.91 -64.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.626 HG21 HD21 ' A' ' 85' ' ' LEU . 19.8 m -56.86 -36.77 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -49.6 -44.22 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -20.99 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' A' ' 72' ' ' HIS . 31.8 mmtt -69.15 -32.64 72.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.553 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 128.56 49.13 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 81.5 m-85 -162.51 98.65 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.96 127.79 10.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -44.91 -54.47 6.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -43.13 -26.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 119' ' ' SER . 44.4 mtt180 -100.44 -77.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 60.1 m-85 -89.84 149.52 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.681 ' C ' HD12 ' A' ' 85' ' ' LEU . 5.3 pt-20 -118.21 160.93 20.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.756 ' HG ' HG22 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -108.27 132.46 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -122.41 172.98 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 74.0 p -118.43 163.92 16.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -61.7 173.82 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 14.0 p90 -30.17 136.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 18.1 Cg_endo -75.09 -50.99 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.98 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 158.83 80.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -90.25 124.21 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -86.89 101.77 13.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.893 ' HB3' HD21 ' A' ' 66' ' ' LEU . 61.5 mt -62.7 93.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.48 -63.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.757 ' NE2' HD23 ' A' ' 97' ' ' LEU . 27.7 p80 -40.9 -57.07 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.757 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -46.65 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 101' ' ' ILE . 3.4 m-20 170.59 162.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.784 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 1.8 m-30 -109.58 -8.63 14.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.534 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -92.79 10.28 31.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 105' ' ' GLU . 12.2 pt -86.75 -146.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 101' ' ' ILE . 18.1 p -136.22 150.75 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD13 HD21 ' A' ' 46' ' ' LEU . 10.4 mt -39.95 -28.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' THR . 20.6 tt0 -72.98 -58.69 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CB ' HD12 ' A' ' 101' ' ' ILE . 2.7 mt-10 -46.79 -52.07 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.859 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -54.26 -28.43 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 91.05 34.36 7.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -95.08 -26.02 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.2 p -76.25 146.65 78.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.257 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -43.04 0.73 Allowed 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -137.5 125.75 23.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 25.1 tp10 -129.91 157.81 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.642 HG23 ' HG2' ' A' ' 47' ' ' MET . 58.6 m -99.33 111.64 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.506 HG13 ' HB3' ' A' ' 85' ' ' LEU . 84.7 t -86.7 148.32 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.51 107.68 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.756 HG22 ' HG ' ' A' ' 85' ' ' LEU . 57.4 t -76.52 110.34 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.816 ' HG2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -115.54 168.78 9.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 7.2 mt-10 -79.58 120.15 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -90.24 31.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.56 159.27 23.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -153.98 155.4 35.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.96 166.46 16.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.048 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.98 99.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -178.62 117.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.53 134.47 10.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.47 104.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.56 166.31 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 106.62 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.6 p -105.48 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.77 123.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 p -129.68 167.91 17.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -165.22 168.77 16.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.25 173.12 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 177.73 122.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.749 ' C ' HD22 ' A' ' 15' ' ' LEU . . . 94.19 152.11 28.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 14' ' ' GLY . 3.4 mm? -124.36 107.42 29.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.63 41.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.32 51.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -161.57 138.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.11 94.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.24 80.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.09 -60.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.06 134.4 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.1 90.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -138.58 89.79 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 ptm -63.34 157.3 64.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.68 39.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.36 5.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.63 161.42 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.72 160.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.19 157.08 27.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.43 95.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' VAL . . . -118.46 -132.17 4.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.802 ' O ' HG13 ' A' ' 33' ' ' VAL . 5.2 p 30.72 68.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.0 t -98.12 90.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.82 127.8 52.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.48 135.1 2.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -52.11 143.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.14 125.8 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -27.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -109.79 155.56 21.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.74 154.97 4.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 142.19 27.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.67 144.51 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 46' ' ' LEU . . . -91.25 118.9 30.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.2 mt-30 -86.62 124.17 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.9 mm? -121.54 132.77 54.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.553 ' HB3' HG23 ' A' ' 113' ' ' THR . 3.1 ttm -98.73 111.94 24.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 24.4 mt -87.37 110.45 20.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -109.57 100.71 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -74.67 157.7 85.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.91 15.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.61 -13.14 39.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 -21.66 28.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -81.52 158.9 24.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -140.8 168.88 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.2 tt0 -157.47 128.56 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.32 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.791 HG21 ' CE1' ' A' ' 72' ' ' HIS . 3.9 pt -104.62 173.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -135.78 105.57 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.0 164.1 16.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.988 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 154.02 42.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.4 -42.25 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -102.58 60.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.054 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -118.98 130.51 55.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -55.88 120.76 7.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.714 ' CD2' HD23 ' A' ' 97' ' ' LEU . 5.8 tp -37.89 -31.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD12 ' HB ' ' A' ' 70' ' ' VAL . 8.3 tp -51.93 -41.16 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.55 -49.99 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.99 -36.95 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.794 ' N ' HD13 ' A' ' 69' ' ' LEU . 49.0 t -66.78 -52.16 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.4 -43.13 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.791 ' CE1' HG21 ' A' ' 58' ' ' ILE . 24.5 t60 -51.69 -64.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 116' ' ' VAL . 22.0 t -56.62 -38.21 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -55.75 -37.97 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.6 m -82.12 -29.23 31.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -56.59 -45.96 81.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.612 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 143.42 45.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 73.0 m-85 -161.35 101.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 128.38 11.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' GLU . 1.3 t30 -40.42 -57.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -38.06 -37.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.0 mtt180 -89.98 -81.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 75.4 m-85 -85.66 147.06 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 85' ' ' LEU . 12.9 pt-20 -118.93 158.82 24.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -105.07 134.35 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -121.29 173.07 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.643 ' CG2' HD21 ' A' ' 94' ' ' LEU . 16.1 p -114.8 177.25 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.8 t-20 -74.01 176.2 6.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -32.44 138.58 0.22 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 -47.33 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.043 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 159.24 98.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 133.46 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -82.0 117.64 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.679 ' HA ' HD21 ' A' ' 97' ' ' LEU . 17.7 mt -81.91 97.73 8.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.603 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.9 t 179.27 -36.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -72.7 -17.8 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 66' ' ' LEU . 1.5 mm? -43.74 -85.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER 160.42 -16.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 11.4 m-30 68.14 -54.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -51.15 -21.56 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 102' ' ' THR . 2.2 pt -70.51 -159.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.522 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.5 p -125.82 154.83 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.054 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -41.85 -26.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 102' ' ' THR . 30.2 tt0 -74.47 -56.78 4.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.486 ' CB ' HD12 ' A' ' 101' ' ' ILE . 3.2 mt-10 -49.06 -47.98 44.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.47 -21.21 5.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.48 23.07 52.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.569 1.168 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 112' ' ' GLU . 12.0 mt -86.44 -54.57 4.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 1.8 p -45.7 148.71 1.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.329 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.01 -54.61 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.006 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -121.61 123.74 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG2' HD23 ' A' ' 108' ' ' LEU . 7.0 tp10 -128.26 160.61 31.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.565 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 33.5 m -107.45 111.11 23.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 46.7 t -87.69 150.12 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 113' ' ' THR . 68.2 m-85 -141.21 109.7 5.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 85' ' ' LEU . 60.0 t -76.4 110.4 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.699 ' CB ' HD11 ' A' ' 86' ' ' LEU . 37.3 tt0 -118.03 150.63 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.8 mt-10 -64.96 117.18 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -82.86 173.62 11.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.15 -145.91 8.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 142.06 27.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.44 -56.45 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.1 p -91.37 154.31 19.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -167.14 110.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -114.42 167.44 10.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 -163.01 9.57 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.03 167.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 p -175.68 171.85 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.99 91.2 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 2.2 p -73.74 -178.45 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . 173.41 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -174.38 108.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -132.19 153.98 50.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 176.57 166.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.577 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 170.73 167.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.32 139.33 10.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 177.36 144.69 0.28 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.808 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.0 -171.87 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -130.51 55.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 17' ' ' ALA . 2.4 m 44.64 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 174.88 122.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m 63.81 112.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -70.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -62.39 130.98 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' GLU . 6.7 mt -149.14 132.49 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 38.7 88.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.01 151.33 95.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.66 32.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.91 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -108.63 168.49 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -128.08 165.22 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.27 -178.18 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.1 159.18 33.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.96 138.09 13.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.6 t -95.67 86.45 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 34' ' ' VAL . 8.1 p -129.82 115.91 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -113.63 168.21 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 84.07 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 mt -74.36 120.56 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.55 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -77.52 174.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t30 62.09 167.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.92 174.27 21.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.72 26.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -121.96 173.05 7.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -115.29 122.92 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.74 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -89.47 125.45 35.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' N ' ' A' ' 46' ' ' LEU . 1.5 mm? -122.75 136.07 54.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB3' HG23 ' A' ' 113' ' ' THR . 11.0 ttm -108.02 93.87 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.747 ' CD2' HG23 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -70.72 105.69 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -101.28 112.35 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 64.3 m-85 -77.04 155.3 82.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.1 Cg_endo -75.02 76.92 3.26 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER 77.24 4.55 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.6 39.99 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER 74.78 -159.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -146.21 -178.84 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.5 129.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ILE . 35.2 tt0 -105.18 146.92 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.789 HG21 ' CE1' ' A' ' 72' ' ' HIS . 7.9 pt -137.53 174.66 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.74 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -135.99 103.9 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.615 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -105.25 162.31 20.12 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.984 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.98 162.57 36.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.97 -43.11 83.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.3 pt20 -93.28 39.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.984 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -101.75 134.12 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.18 127.28 30.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 69' ' ' LEU . 5.8 tp -39.55 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD12 ' HB ' ' A' ' 70' ' ' VAL . 9.0 tp -54.11 -43.45 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.04 -49.69 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.05 -35.16 79.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.808 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.4 t -68.36 -50.02 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -50.55 -32.82 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' A' ' 58' ' ' ILE . 55.5 t60 -68.06 -69.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 85' ' ' LEU . 91.2 t -47.62 -34.8 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.01 -46.38 71.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.02 -23.25 67.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.47 ' HE3' ' CE1' ' A' ' 72' ' ' HIS . 34.2 mmtt -71.07 -39.59 72.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 135.34 46.16 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 51.6 m-85 -152.68 99.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.69 7.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.7 t30 -41.87 -57.97 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 7.4 pt-20 -37.31 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 119' ' ' SER . 59.1 mtt180 -97.07 -70.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -86.31 151.25 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.872 ' HG3' HD21 ' A' ' 86' ' ' LEU . 22.1 pt-20 -116.15 145.98 42.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 69' ' ' LEU . 43.0 mt -98.77 128.05 44.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.872 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -121.8 173.24 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CG2' HD21 ' A' ' 94' ' ' LEU . 10.2 p -104.88 -166.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.529 ' HA ' ' CE1' ' A' ' 115' ' ' PHE . 2.6 t-20 -75.37 158.55 32.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 9.7 p90 -30.67 138.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.606 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.01 -52.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.005 0.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 169.13 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 84.5 mtt-85 -153.19 110.85 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 10.3 mtmt -64.89 102.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 HD21 ' CG2' ' A' ' 87' ' ' THR . 2.0 mt -72.19 72.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -146.19 -61.58 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.787 ' CE1' HD23 ' A' ' 97' ' ' LEU . 8.3 p80 -38.89 -58.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -38.8 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.653 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.3 OUTLIER 165.22 168.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CD2' HD13 ' A' ' 67' ' ' LEU . 10.2 m-30 -107.14 -27.06 10.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -65.75 -19.75 66.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 98' ' ' ASP . 1.9 pt -65.82 -163.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 19.3 p -123.43 153.7 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.615 HD11 ' CB ' ' A' ' 60' ' ' LEU . 8.0 mt -40.45 -28.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.5 tt0 -72.2 -53.86 11.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 7.7 mt-10 -51.66 -50.61 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -54.38 -29.2 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.92 50.82 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 2.3 mm? -115.67 -49.65 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.505 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 74.2 m -52.67 146.82 16.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.258 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -75.0 -53.19 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.021 -0.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 2.8 mp0 -125.13 127.14 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 10.5 tp10 -137.02 164.91 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.833 HG22 ' CE1' ' A' ' 115' ' ' PHE . 37.2 m -106.93 105.96 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.561 HG12 HD22 ' A' ' 85' ' ' LEU . 59.2 t -87.74 119.66 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 113' ' ' THR . 35.4 m-85 -104.83 129.69 53.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.746 HG22 ' CD2' ' A' ' 85' ' ' LEU . 20.5 t -87.48 119.75 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.768 ' CB ' HD11 ' A' ' 86' ' ' LEU . 31.2 tt0 -122.64 153.74 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.11 121.25 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -90.36 114.22 26.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.26 156.31 11.6 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -59.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.4 p -103.25 161.59 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.8 t -93.55 126.19 38.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 176.68 149.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.036 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -172.03 171.32 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 -167.18 12.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.06 155.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 109.995 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.65 146.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.53 -179.46 46.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -143.41 167.59 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.83 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -109.91 -179.86 3.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -110.83 170.16 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -143.42 173.2 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -144.61 171.95 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.19 175.05 25.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -140.42 164.02 39.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.0 171.47 18.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.53 173.12 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.48 -179.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -171.93 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.0 p -115.06 139.39 49.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -148.3 -49.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.29 143.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 43.35 78.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.12 45.01 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtt -125.91 156.54 71.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.3 41.86 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -139.98 155.55 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.23 165.83 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.08 168.41 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.6 155.85 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.51 -120.33 1.03 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 33' ' ' VAL . 2.0 p -67.12 78.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.0 p -117.94 112.65 39.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.9 149.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.28 92.3 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.78 120.91 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 131.52 44.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -120.63 178.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.22 114.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.82 144.23 6.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 139.04 23.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 mttt -98.7 -146.32 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB2' ' SG ' ' A' ' 109' ' ' CYS . . . -90.56 120.34 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -102.02 131.16 48.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.414 ' HB3' HG23 ' A' ' 113' ' ' THR . 2.5 ttm -104.82 95.77 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -72.74 106.12 4.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -101.45 113.59 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 51.5 m-85 -78.81 154.66 78.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.0 m-20 76.07 4.49 3.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -103.55 39.77 2.68 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.8 mtpp 74.52 -160.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -147.58 178.18 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' LEU . 2.2 tt0 -176.39 129.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -107.43 145.01 33.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.944 HG21 ' CE1' ' A' ' 72' ' ' HIS . 38.9 pt -136.03 174.5 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.1 m -132.85 106.37 7.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.73 HD21 HD12 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -109.12 159.25 31.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 1.009 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 157.73 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 102' ' ' THR . 8.4 mt-10 -66.98 -38.86 86.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -73.11 -23.69 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -51.37 139.3 19.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -72.12 138.58 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' LEU . 10.2 tp -44.84 -26.72 0.43 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.85 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -59.2 -39.54 82.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -43.96 -48.19 8.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 114' ' ' VAL . 1.9 tp -67.82 -33.81 75.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.85 ' HB ' HD23 ' A' ' 67' ' ' LEU . 54.4 t -69.73 -55.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 67' ' ' LEU . 12.1 mttt -50.91 -26.22 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.944 ' CE1' HG21 ' A' ' 58' ' ' ILE . 60.0 t60 -72.53 -65.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.774 HG11 HD21 ' A' ' 85' ' ' LEU . 40.0 t -54.76 -22.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -41.49 59.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -71.86 -28.07 63.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 65.0 mmtt -62.87 -39.93 95.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 134.79 51.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 88.1 m-85 -162.22 100.51 1.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.96 129.35 12.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ARG . 1.6 t30 -42.94 -54.98 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -41.39 -29.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 119' ' ' SER . 12.1 mtt180 -99.65 -78.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 68.6 m-85 -89.02 133.45 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.9 pt-20 -102.84 161.41 13.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.774 HD21 HG11 ' A' ' 73' ' ' VAL . 87.5 mt -106.09 127.34 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.08 172.82 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.588 ' CG2' HD11 ' A' ' 94' ' ' LEU . 18.5 p -128.85 142.48 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -46.09 156.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 2.8 p90 -35.01 124.96 0.56 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -74.98 158.86 98.74 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.012 0.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 101.55 9.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -108.69 129.15 55.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' SER . 18.0 mttt -83.05 92.43 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD11 ' CG2' ' A' ' 87' ' ' THR . 17.2 mt -55.35 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -170.13 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.833 ' CE1' HD23 ' A' ' 97' ' ' LEU . 34.0 p80 -40.38 -58.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -39.67 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 4.7 m-20 158.54 148.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -95.4 7.67 45.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -93.33 -13.93 27.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 5.2 pt -72.65 -171.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 63' ' ' GLN . 1.7 p -109.36 149.91 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.603 HD11 ' CB ' ' A' ' 60' ' ' LEU . 4.5 mt -40.18 -28.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 102' ' ' THR . 27.1 tt0 -73.92 -52.44 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.2 mt-10 -47.36 -55.09 9.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 108' ' ' LEU . . . -55.45 -29.09 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.47 29.92 13.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 106' ' ' ALA . 1.5 mm? -83.41 -26.65 30.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 m -85.72 150.53 53.65 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.99 -57.53 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.019 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.86 133.62 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 108' ' ' LEU . 30.7 tp10 -148.43 152.85 37.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 47' ' ' MET . 22.6 m -104.55 108.64 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 85' ' ' LEU . 50.5 t -90.3 121.44 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.06 136.22 43.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 85' ' ' LEU . 16.2 t -97.83 128.34 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.494 ' CD ' HD11 ' A' ' 86' ' ' LEU . 4.5 pt20 -145.51 165.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.43 119.18 17.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.9 t -73.42 153.52 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.09 -150.0 20.66 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 62.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -53.68 -59.17 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 118.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -176.6 171.47 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -159.65 171.28 19.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.82 -161.98 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.85 171.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 m -160.4 173.77 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.42 -176.25 35.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -172.1 167.15 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.41 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.2 150.11 6.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 p -120.37 -176.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -170.35 168.02 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -173.39 177.01 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.45 175.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.01 150.17 7.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.098 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.628 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -167.33 144.36 3.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.628 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.3 Cg_endo -74.99 -174.85 2.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.51 51.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.94 136.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.35 167.72 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m -123.21 161.46 24.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.17 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.46 131.66 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.1 mt -152.28 104.65 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.97 76.72 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.5 mtm -123.11 93.97 47.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 152.48 40.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.94 -164.16 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -155.86 143.15 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -158.07 171.21 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . 173.01 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.29 161.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.94 138.73 2.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.2 t -101.62 91.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 p -175.15 166.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 62.4 97.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -74.2 98.22 0.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.52 89.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLY . 20.7 t0 179.32 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 59' ' ' THR . 2.7 t -107.52 158.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t-20 -168.18 87.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -125.99 1.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -164.99 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HD3' ' CA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER 64.57 161.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -99.13 123.05 43.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 59' ' ' THR . 2.3 mt-30 -93.09 140.16 29.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 108' ' ' LEU . 1.6 mt -142.34 143.83 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' VAL . 39.0 tpp -109.44 124.23 50.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 19.5 mt -93.7 111.81 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -107.9 97.13 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.68 154.91 91.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -10.52 21.27 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -6.64 47.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -16.95 56.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -93.44 164.63 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.06 -177.99 5.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -168.39 126.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.98 133.25 40.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.616 HG21 ' CE1' ' A' ' 72' ' ' HIS . 6.5 pt -133.83 159.11 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -121.82 118.63 29.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CA ' ' HD3' ' A' ' 43' ' ' LYS . 28.5 mt -125.47 158.49 64.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.601 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.0 137.28 21.51 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.783 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 24.4 mt-10 -50.33 -41.98 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -66.99 -9.45 38.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.753 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -64.07 136.29 57.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.9 mtmm -70.32 131.34 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -39.77 -38.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' CG ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -52.66 -40.23 62.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.34 -51.97 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -67.13 -42.48 84.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' HD23 ' A' ' 67' ' ' LEU . 93.1 t -58.8 -45.9 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.14 -42.24 94.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.616 ' CE1' HG21 ' A' ' 58' ' ' ILE . 23.5 t60 -48.13 -66.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.697 HG11 HG21 ' A' ' 116' ' ' VAL . 16.0 t -56.88 -39.44 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -46.74 -39.56 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.258 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.24 -33.86 25.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -50.42 -22.81 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 116.27 37.71 1.0 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' HB2' HG12 ' A' ' 73' ' ' VAL . 42.0 m-85 -153.1 99.23 2.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.13 -51.13 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -27.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 119' ' ' SER . 8.9 mtt180 -104.04 -80.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 117' ' ' GLN . 57.3 m-85 -88.24 135.81 33.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 85' ' ' LEU . 18.1 pt-20 -110.88 157.98 19.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -104.5 129.32 52.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.72 HD11 ' OE1' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -114.2 173.02 6.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.785 HG23 HD11 ' A' ' 94' ' ' LEU . 3.2 p -116.57 151.76 35.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 90' ' ' PRO . 3.4 t-20 -50.87 151.76 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 90' ' ' PRO . 13.4 p90 -37.59 126.94 0.91 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 18.3 Cg_endo -74.99 159.4 98.07 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.016 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.79 150.32 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -161.16 122.42 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -65.51 107.79 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 87' ' ' THR . 13.4 mt -75.82 92.72 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.601 ' H ' HD22 ' A' ' 97' ' ' LEU . 47.7 t -172.51 -48.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -57.74 -19.88 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.711 HD21 ' HA ' ' A' ' 94' ' ' LEU . 1.6 mm? -41.71 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 158.56 -16.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 22.7 m-85 69.22 -56.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -48.93 -20.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 102' ' ' THR . 1.6 pt -70.13 -159.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.516 ' N ' HG13 ' A' ' 101' ' ' ILE . 13.5 p -123.17 162.0 23.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -48.78 -22.82 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 107' ' ' GLY . 8.3 tt0 -78.5 -57.91 3.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 101' ' ' ILE . 5.3 mt-10 -47.53 -50.9 22.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.42 -19.02 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.11 45.77 8.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.8 mt -109.63 -41.73 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 2.3 p -63.39 149.25 92.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.98 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.002 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -126.69 133.77 50.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 13.6 tp10 -144.4 142.46 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.621 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 68.5 m -86.46 115.25 23.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 14.6 t -88.72 147.39 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.621 ' CZ ' HG22 ' A' ' 113' ' ' THR . 77.8 m-85 -140.2 114.59 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.697 HG21 HG11 ' A' ' 73' ' ' VAL . 59.6 t -84.01 118.16 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.72 ' OE1' HD11 ' A' ' 86' ' ' LEU . 8.4 pt20 -128.55 160.79 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.87 120.75 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 1.3 t -88.34 125.72 34.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.97 162.48 37.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.0 147.84 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.4 133.7 44.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 156.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.12 170.03 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 129.92 1.4 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -164.0 156.2 17.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -165.98 159.72 15.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.69 11.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -165.92 160.67 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.396 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -179.84 141.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 p -133.86 165.09 25.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -177.93 168.11 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.05 153.92 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.97 165.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.46 94.8 0.1 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.99 154.43 95.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.42 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.99 153.09 27.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.66 158.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.75 171.17 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.482 ' C ' HD12 ' A' ' 22' ' ' ILE . 5.5 m -95.7 62.84 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 22' ' ' ILE . 68.8 mm-40 -42.52 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER 34.36 -151.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.727 ' H ' HG22 ' A' ' 22' ' ' ILE . 9.0 mt -145.32 -175.04 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.94 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.0 mmt -41.04 123.44 2.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.06 151.9 39.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.3 Cg_endo -74.99 171.69 17.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -131.65 168.37 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -123.54 48.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.38 165.53 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -147.05 164.68 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.46 16.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.5 t -99.12 84.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.69 100.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.5 148.0 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.01 163.53 10.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.7 pt -57.05 165.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -99.43 104.32 16.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.84 133.39 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.72 106.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -126.02 2.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.01 11.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.52 162.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 46' ' ' LEU . . . -102.96 115.22 30.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HG3' HG23 ' A' ' 59' ' ' THR . 4.1 mt-30 -87.74 123.92 33.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 45' ' ' GLN . 1.3 mm? -123.69 127.6 48.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 114' ' ' VAL . 12.9 tpp -94.14 127.61 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.708 ' CD1' ' CD2' ' A' ' 72' ' ' HIS . 21.4 mt -102.17 116.14 32.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -106.73 100.31 9.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 47.3 m-85 -73.2 142.48 82.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.01 56.21 4.19 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -161.51 24.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.3 -19.85 4.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -82.78 164.1 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -155.25 -175.73 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HG2' HD12 ' A' ' 48' ' ' LEU . 1.6 tt0 -167.68 128.3 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.88 119.59 39.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.972 HG21 ' CE1' ' A' ' 72' ' ' HIS . 8.0 pt -118.81 162.93 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -124.98 106.23 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.442 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -103.62 162.74 19.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.982 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.5 Cg_endo -74.98 162.82 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.2 -37.01 80.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 1.5 pt20 -99.16 38.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.087 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -99.17 133.2 43.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -64.01 125.31 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 94' ' ' LEU . 1.2 tm? -39.28 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 71' ' ' LYS . 1.6 tp -53.34 -33.97 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -52.24 -53.09 48.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.97 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.89 -33.94 77.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.1 t -68.65 -35.95 72.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 67' ' ' LEU . 41.9 mttt -63.41 -48.37 78.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.972 ' CE1' HG21 ' A' ' 58' ' ' ILE . 18.9 t60 -49.77 -55.41 14.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.593 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.803 HG12 ' HB2' ' A' ' 78' ' ' TYR . 43.9 t -63.46 -22.94 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -72.68 -52.39 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -30.48 64.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 72' ' ' HIS . 13.6 mmtt -56.05 -46.83 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.613 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 144.2 44.68 0.05 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.803 ' HB2' HG12 ' A' ' 73' ' ' VAL . 74.4 m-85 -160.95 100.22 1.29 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.02 126.84 10.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.9 t30 -43.63 -64.06 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.518 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.7 pt-20 -37.56 -30.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' CG ' ' HG2' ' A' ' 79' ' ' PRO . 16.4 mtt180 -93.59 -67.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 80' ' ' ASN . 40.9 m-85 -93.72 148.46 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.749 ' HG3' HD21 ' A' ' 86' ' ' LEU . 17.0 pt-20 -115.8 141.05 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.879 HD22 HG12 ' A' ' 114' ' ' VAL . 33.8 mt -93.6 131.12 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -117.3 173.1 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.464 ' CG2' HD21 ' A' ' 108' ' ' LEU . 3.2 p -120.83 163.35 18.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 90' ' ' PRO . 1.7 t-20 -64.58 156.11 30.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 15.6 p90 -36.68 125.88 0.76 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.2 Cg_endo -75.0 158.65 98.87 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.953 -2.52 . . . . 0.0 111.036 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.63 148.02 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 -164.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -146.95 102.3 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' A' ' 66' ' ' LEU . 17.6 mt -66.1 80.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 0.9 OUTLIER -159.37 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.737 ' NE2' HD23 ' A' ' 97' ' ' LEU . 25.4 p80 -38.28 -56.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.737 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -38.06 -82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 1.3 m-20 153.76 148.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 70' ' ' VAL . 13.3 m-30 -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.429 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -56.19 -24.6 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.579 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 0.9 OUTLIER -72.0 172.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 105' ' ' GLU . 40.7 p -99.02 159.03 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.087 HD22 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -45.05 -29.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.72 -44.52 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.579 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 1.1 mm-40 -62.95 -47.58 82.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -54.51 -19.7 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.59 50.32 4.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . 20.8 mt -121.84 -46.1 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 77.2 m -51.91 144.57 19.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -74.98 -51.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.999 0.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 3.4 mp0 -126.7 130.73 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -141.94 161.47 37.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.485 HG23 ' HB3' ' A' ' 47' ' ' MET . 36.3 m -97.89 117.55 32.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.879 HG12 HD22 ' A' ' 85' ' ' LEU . 95.9 t -100.52 108.24 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.94 126.78 40.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.681 HG22 HD21 ' A' ' 85' ' ' LEU . 15.5 t -84.37 122.06 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.726 ' CB ' HD11 ' A' ' 86' ' ' LEU . 29.4 tt0 -130.5 149.17 52.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.38 120.4 18.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -71.96 149.51 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.82 -153.14 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.01 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 m -118.42 151.8 37.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -127.28 -59.45 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 0.0 110.956 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -173.54 170.37 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p 178.56 170.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -139.59 7.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -170.01 169.4 8.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -162.97 171.21 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.35 179.1 16.95 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -173.08 154.06 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.12 176.19 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -168.39 158.27 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.03 146.08 42.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.4 169.3 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.94 174.13 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.51 136.15 2.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.02 153.3 73.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -174.76 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 111.06 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.85 147.53 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.5 t 63.8 149.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t0 176.69 95.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.6 -60.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -54.43 131.0 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -150.18 87.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.7 90.84 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -137.89 89.5 14.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -75.03 149.06 36.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.5 Cg_endo -74.93 -174.62 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -131.33 139.04 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.7 mttt -121.94 136.68 54.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . 177.87 124.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -171.26 152.19 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.43 77.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 -163.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' VAL . 20.1 t 43.17 88.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -170.49 93.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.11 90.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -84.43 106.54 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 101.54 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.1 p -40.86 140.45 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -165.59 107.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 -172.89 26.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.89 154.15 18.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.0 130.94 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.717 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER -98.28 124.35 42.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -127.02 140.97 51.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' HD13 ' A' ' 48' ' ' LEU . 25.4 tpp -113.64 119.74 38.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -92.5 115.21 27.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 115' ' ' PHE . 1.5 mmt180 -105.43 102.28 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 45.5 m-85 -71.11 159.53 85.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.43 5.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.06 -28.98 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.79 -27.5 5.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -78.03 161.7 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -141.37 166.46 24.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -153.36 145.11 23.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -107.92 147.58 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 60' ' ' LEU . 25.9 pt -139.33 169.99 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.717 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -136.97 104.84 5.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.9 ' CD2' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -108.14 164.06 15.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.2 Cg_endo -75.02 142.07 27.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.548 1.815 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -43.38 -50.61 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.05 58.8 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -113.81 125.13 53.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -51.08 123.15 8.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -39.06 -33.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -50.82 -37.09 40.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -48.15 -51.3 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 114' ' ' VAL . 3.8 tp -66.97 -38.55 86.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 99' ' ' TYR . 75.3 t -66.46 -38.41 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.0 mttt -66.83 -38.14 85.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.684 ' CE1' HG21 ' A' ' 58' ' ' ILE . 62.3 t60 -55.45 -70.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 85' ' ' LEU . 12.9 m -50.17 -27.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -56.74 -47.05 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 t -76.43 -8.25 56.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -82.35 -19.16 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.66 10.39 7.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.805 ' CD2' HG11 ' A' ' 116' ' ' VAL . 64.0 m-85 -118.08 93.91 45.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.511 ' O ' ' O ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.04 146.35 32.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.58 -27.89 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -79.03 5.83 10.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 63.2 mtt-85 -153.37 128.86 9.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 57.7 m-85 72.11 158.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.769 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.8 pt-20 -134.41 146.52 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.998 ' CD2' HG22 ' A' ' 116' ' ' VAL . 91.8 mt -92.68 120.77 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -109.92 173.37 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.503 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 13.1 p -122.03 165.78 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -64.64 172.52 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 22.2 p90 -35.89 141.6 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 89' ' ' PHE . 18.2 Cg_endo -75.0 -40.54 1.18 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.995 -0.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 158.86 172.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER 162.99 141.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 13.2 mttp -105.44 111.95 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 108' ' ' LEU . 17.7 mt -70.67 86.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 96' ' ' HIS . 9.2 t -169.49 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.939 ' CE1' HD23 ' A' ' 97' ' ' LEU . 33.2 p80 -38.17 -59.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.939 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -40.24 -87.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 171.35 176.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 70' ' ' VAL . 15.3 m-85 -115.44 -23.94 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -66.77 -20.38 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.4 pt -65.81 -164.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.6 p -119.66 153.73 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 60' ' ' LEU . 13.5 mt -41.52 -28.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.452 ' N ' ' C ' ' A' ' 102' ' ' THR . 33.5 tt0 -72.31 -51.05 22.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.1 mt-10 -55.39 -50.96 68.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 97' ' ' LEU . . . -55.6 -25.11 36.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.3 1.85 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 46' ' ' LEU . 3.8 mt -139.23 23.92 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 8.6 p -120.2 145.59 40.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.96 -33.19 4.2 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.056 -2.477 . . . . 0.0 111.008 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -138.9 131.47 28.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 108' ' ' LEU . 9.6 tp10 -141.6 149.41 40.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.949 HG22 ' CE1' ' A' ' 115' ' ' PHE . 13.7 m -92.7 109.9 21.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' MET . 2.5 t -86.39 157.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.949 ' CE1' HG22 ' A' ' 113' ' ' THR . 76.7 m-85 -143.17 129.51 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.998 HG22 ' CD2' ' A' ' 85' ' ' LEU . 13.7 t -88.88 116.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.795 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -120.71 158.19 28.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.56 130.92 45.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -113.62 163.54 14.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -102.7 -146.15 16.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 79.6 2.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.45 147.42 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.4 t 179.93 137.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -176.7 159.85 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.28 173.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 136.7 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 96.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 179.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.41 44.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -105.76 119.53 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.74 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.12 -177.86 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.06 155.94 49.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -135.24 167.14 21.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -154.16 158.91 41.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -150.28 170.92 17.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.77 167.79 24.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -146.62 109.52 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.43 151.0 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 m -93.09 169.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -170.32 112.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.7 p -179.1 92.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -135.15 -59.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.1 mt -45.94 144.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.46 166.67 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -78.18 75.42 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.585 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER 52.2 160.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 18.3 Cg_endo -74.97 154.45 42.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 18.2 Cg_endo -75.0 171.73 17.76 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 175.46 107.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -174.37 109.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.97 163.41 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -179.83 161.14 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' VAL . . . -157.55 64.67 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.75 ' O ' HG13 ' A' ' 33' ' ' VAL . 9.6 p -62.76 80.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 p -151.71 123.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -175.69 124.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.42 83.3 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.69 176.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' VAL . 2.8 t0 177.68 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 1.5 p -40.47 148.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.93 123.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.12 -146.4 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.49 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -99.6 169.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 110' ' ' PRO . . . -108.58 127.69 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.636 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.6 mt-30 -95.05 138.46 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -141.22 158.05 44.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.0 ttm -126.4 104.73 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -76.58 107.97 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -102.05 106.04 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 67.0 m-85 -72.23 151.11 92.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 18.3 Cg_endo -75.02 77.74 3.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 2.8 m-20 80.15 7.53 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' LYS . . . -108.24 36.49 4.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.1 mttt 74.42 -160.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -151.72 173.85 14.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -168.4 145.43 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 22.0 tt0 -108.66 150.99 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 60' ' ' LEU . 24.1 pt -145.06 173.51 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -137.37 104.88 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -104.5 160.96 24.29 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.626 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -74.99 148.85 35.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.03 -47.22 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.7 pt20 -90.42 49.6 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -109.99 128.01 55.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -56.75 132.06 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 66' ' ' LEU . 11.2 tp -45.29 -25.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -61.1 -39.31 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -45.26 -43.64 10.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD11 HG11 ' A' ' 114' ' ' VAL . 1.1 tp -72.82 -32.37 65.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.826 ' HB ' HD23 ' A' ' 67' ' ' LEU . 61.1 t -72.57 -56.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 67' ' ' LEU . 8.1 mttt -49.25 -30.97 7.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.623 ' CE1' HG21 ' A' ' 58' ' ' ILE . 71.0 t60 -65.43 -71.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.952 HG21 HD21 ' A' ' 85' ' ' LEU . 32.7 m -49.59 -37.6 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -42.43 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -12.59 59.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 67.5 mmtt -81.4 -32.81 32.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 130.28 50.12 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.673 ' CE1' ' CD1' ' A' ' 50' ' ' TYR . 87.9 m-85 -162.42 98.3 1.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PHE . 18.3 Cg_endo -75.0 136.38 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.555 1.818 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -54.67 -58.89 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -39.54 -28.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 119' ' ' SER . 7.6 mtt180 -98.54 -71.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 79' ' ' PRO . 39.3 m-85 -91.79 160.67 15.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.745 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.3 pt-20 -128.36 155.37 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.952 HD21 HG21 ' A' ' 73' ' ' VAL . 1.2 mp -107.4 127.9 53.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.745 HD21 ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -119.1 173.16 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.495 HG23 HD11 ' A' ' 94' ' ' LEU . 2.4 p -104.51 -172.1 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.518 ' O ' ' C ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -73.9 157.92 35.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 88' ' ' ASN . 1.6 p90 -26.59 136.63 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.62 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.2 Cg_endo -75.03 -56.31 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.992 0.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.62 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.0 OUTLIER 167.71 153.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 86' ' ' LEU . 20.6 mtt85 -155.73 113.58 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 91' ' ' ARG . 21.2 mttt -68.16 88.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 87' ' ' THR . 32.3 mt -61.01 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 t -168.93 -54.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.894 ' CE1' HD23 ' A' ' 97' ' ' LEU . 30.6 p80 -41.7 -58.29 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.894 HD23 ' CE1' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -41.59 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 163.13 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -105.1 17.72 23.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -104.93 -19.99 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.479 HD11 HD13 ' A' ' 97' ' ' LEU . 1.4 pt -68.51 -157.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.472 ' N ' HG13 ' A' ' 101' ' ' ILE . 15.7 p -125.26 154.51 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 46' ' ' LEU . 16.4 mt -41.8 -27.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 107' ' ' GLY . 34.4 tt0 -73.34 -60.76 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 101' ' ' ILE . 50.6 mm-40 -46.08 -49.64 16.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -55.21 -28.83 55.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 108' ' ' LEU . . . 94.33 43.87 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.425 1.078 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.68 ' CD2' ' HB3' ' A' ' 106' ' ' ALA . 0.8 OUTLIER -112.12 -44.1 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.517 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 98.2 m -58.1 147.35 65.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.95 -31.89 5.03 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.989 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -143.23 144.85 32.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.3 tp10 -156.19 145.67 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' CZ ' ' A' ' 115' ' ' PHE . 22.0 m -88.71 113.89 24.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 19.6 t -86.46 155.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.717 ' CZ ' HG22 ' A' ' 113' ' ' THR . 89.1 m-85 -143.56 108.13 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 85' ' ' LEU . 42.6 t -78.06 112.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' CD ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -123.45 153.15 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 1.6 mt-10 -58.52 130.09 45.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.91 159.85 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.028 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.25 -160.38 36.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.07 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.88 -62.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.5 102.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 152.9 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -162.76 171.05 17.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.83 176.68 21.39 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.56 173.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -152.73 166.1 33.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.42 -171.18 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -140.6 150.61 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.29 176.9 6.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -123.24 124.35 42.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -76.17 122.77 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 169.59 10.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -139.09 161.31 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.58 166.37 39.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 2.9 mp -133.92 146.49 60.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.532 0.784 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.3 Cg_endo -75.01 -177.58 3.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.86 178.78 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -132.35 136.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.32 98.96 7.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.53 110.18 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -117.83 -73.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.48 146.24 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 170.85 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -89.43 47.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.52 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 1.6 ptm 82.9 155.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.82 42.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.37 9.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -156.09 155.83 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 161.12 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.0 170.16 18.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.32 175.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 153.06 25.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.1 p -116.09 114.52 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -104.63 167.58 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.94 102.67 1.09 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -52.61 139.72 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 68.23 152.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.03 143.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.81 162.24 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.45 174.35 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.73 11.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -91.45 -142.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.52 116.78 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 1.1 mt-30 -83.34 132.43 35.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -140.06 158.39 44.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.582 ' HB3' HG23 ' A' ' 113' ' ' THR . 24.1 tpp -127.52 123.07 34.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -91.74 101.08 13.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' PHE . 6.3 mmm-85 -91.6 99.47 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 60.8 m-85 -72.02 156.49 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -75.01 -16.19 20.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -70.36 -11.42 60.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.53 -21.11 31.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -83.07 166.89 18.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 3.6 ptt85 -136.63 -175.24 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.734 ' HG2' HD23 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -166.62 134.61 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.9 tt0 -106.43 133.57 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.235 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 ' CG2' HD21 ' A' ' 48' ' ' LEU . 4.7 pt -135.37 171.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.21 105.53 5.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -104.19 155.67 36.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.1 Cg_endo -75.08 135.55 19.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . 3.5 mt-10 -36.8 -56.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 2.1 pt20 -83.73 51.42 2.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -112.23 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -57.75 126.23 26.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 94' ' ' LEU . 14.2 tp -40.86 -29.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -56.1 -40.69 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.377 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -44.34 -49.08 9.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.49 -34.77 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.762 ' N ' HD13 ' A' ' 69' ' ' LEU . 55.0 t -68.1 -54.65 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -50.31 -34.43 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.611 ' NE2' HG21 ' A' ' 58' ' ' ILE . 64.6 t60 -61.46 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 85' ' ' LEU . 14.8 t -50.81 -30.62 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.94 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 5.65 51.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 60.7 mmtt -93.29 -28.32 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.581 ' C ' ' CD1' ' A' ' 78' ' ' TYR . . . 130.16 41.57 0.23 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 77' ' ' GLY . 18.7 m-85 -162.91 102.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' HG2' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -75.02 128.37 11.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.59 HD22 ' N ' ' A' ' 81' ' ' GLU . 1.7 t30 -43.01 -65.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.59 ' N ' HD22 ' A' ' 80' ' ' ASN . 8.6 pt-20 -36.25 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' ASN . 15.6 mtt180 -92.66 -74.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ASN . 28.0 m-85 -92.03 155.58 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -117.5 -176.69 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 84' ' ' GLU . 62.8 mt -133.78 131.02 38.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -119.43 175.45 5.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.05 HG23 HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -102.67 -167.02 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.433 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' PHE . 8.0 t-20 -88.57 174.92 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HA ' ' C ' ' A' ' 90' ' ' PRO . 3.1 p90 -34.58 131.75 0.44 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 18.3 Cg_endo -75.05 -55.94 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.995 0.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 90' ' ' PRO . 0.5 OUTLIER 169.72 146.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -169.59 124.99 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.667 ' C ' HD22 ' A' ' 94' ' ' LEU . 13.2 mttt -78.59 137.16 37.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.05 HD21 HG23 ' A' ' 87' ' ' THR . 0.2 OUTLIER -101.32 78.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' HIS . 3.3 t -163.79 -54.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.769 ' NE2' HD23 ' A' ' 97' ' ' LEU . 23.5 p80 -38.69 -53.29 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.638 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.46 -98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -169.52 155.78 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 70' ' ' VAL . 11.7 m-85 -96.6 -18.63 19.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 7.8 t70 -67.76 -23.28 65.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.507 ' HB ' ' CB ' ' A' ' 105' ' ' GLU . 1.6 pt -63.97 -172.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.457 ' C ' ' N ' ' A' ' 104' ' ' GLN . 10.9 p -115.19 152.87 31.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 46' ' ' LEU . 9.6 mt -39.53 -29.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' N ' ' C ' ' A' ' 102' ' ' THR . 31.7 tt0 -72.19 -53.88 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' CB ' ' HB ' ' A' ' 101' ' ' ILE . 6.5 mt-10 -48.97 -52.08 26.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' A' ' 94' ' ' LEU . . . -54.84 -21.71 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.61 41.69 7.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.645 HD11 HD11 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -105.62 -41.57 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 68.9 m -60.03 148.13 78.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.4 Cg_endo -74.97 -41.75 0.94 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.006 0.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -129.5 144.21 51.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 46' ' ' LEU . 9.4 tp10 -160.65 141.43 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 47' ' ' MET . 53.3 m -86.67 112.2 21.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 85' ' ' LEU . 43.8 t -89.93 115.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 80.7 m-85 -99.72 138.95 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.66 HG22 HD22 ' A' ' 85' ' ' LEU . 10.8 t -96.92 129.03 47.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.67 ' CB ' HD11 ' A' ' 86' ' ' LEU . 23.0 tt0 -140.13 150.47 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.79 120.23 11.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.3 112.82 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.29 156.75 31.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.34 6.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.3 m -85.92 162.04 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -137.05 150.9 48.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.06 170.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.8 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -177.22 171.24 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -163.2 12.14 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.93 169.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 71.33 152.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -160.17 28.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -41.39 154.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.84 57.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p 42.06 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -137.1 115.6 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -173.37 164.68 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.79 158.99 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.5 113.95 0.53 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -96.35 116.08 65.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.91 3.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.73 -169.86 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -168.96 133.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -142.76 155.46 44.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.3 p 179.61 154.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.18 -69.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -40.55 136.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -149.61 116.85 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -137.89 72.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.4 128.02 2.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.04 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.75 133.58 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.54 169.44 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.65 175.7 8.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 173.95 170.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.04 131.2 2.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -163.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -166.67 151.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 66.79 107.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.53 74.22 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 38' ' ' ASP . 49.7 mm -98.32 161.17 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 37' ' ' ILE . 15.0 p-10 -113.1 168.06 10.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.98 -66.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.88 171.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.68 -155.94 15.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.4 40.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HB3' HG22 ' A' ' 59' ' ' THR . 2.5 mttp -119.76 166.52 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 110' ' ' PRO . . . -114.83 128.84 56.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.714 ' HG3' HG23 ' A' ' 59' ' ' THR . 1.1 mt-30 -91.08 126.58 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 45' ' ' GLN . 1.6 mm? -124.44 140.74 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.568 ' HB3' HG23 ' A' ' 113' ' ' THR . 1.0 OUTLIER -109.52 94.34 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.25 116.56 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 116' ' ' VAL . 2.7 mmm180 -111.28 93.69 4.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.763 ' HA ' HG13 ' A' ' 116' ' ' VAL . 53.9 m-85 -67.87 140.23 93.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.779 ' HD3' HG22 ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 52.62 3.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 16.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.22 3.43 88.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -111.23 144.11 40.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.36 179.11 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' LEU . 7.3 tt0 -174.18 126.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -99.9 126.43 46.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.706 HG12 HD21 ' A' ' 48' ' ' LEU . 6.7 pt -121.28 173.14 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.714 HG23 ' HG3' ' A' ' 45' ' ' GLN . 1.2 m -134.81 105.65 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.81 161.88 23.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 1.006 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.96 155.78 43.14 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 102' ' ' THR . 31.9 mt-10 -69.46 -27.98 65.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 102' ' ' THR . 0.7 OUTLIER -83.73 -16.92 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.006 ' HB2' ' HG2' ' A' ' 61' ' ' PRO . . . -58.07 136.25 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -68.26 136.75 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -44.82 -31.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.696 HD23 ' HB ' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -58.19 -40.06 80.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -46.58 -47.41 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.024 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -68.58 -35.34 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 69' ' ' LEU . 57.9 t -67.18 -42.5 88.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.702 ' CE1' HG21 ' A' ' 58' ' ' ILE . 66.6 t60 -61.7 -68.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.643 HG21 HD21 ' A' ' 85' ' ' LEU . 47.0 t -52.03 -24.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -68.22 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -21.23 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 28.8 mmtt -71.32 -40.84 70.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 78' ' ' TYR . . . 138.59 53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' CG ' ' O ' ' A' ' 77' ' ' GLY . 77.5 m-85 -163.33 95.24 1.08 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -75.01 130.27 13.11 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -40.98 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' ASN . 8.9 pt-20 -38.28 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 119' ' ' SER . 36.9 mtt-85 -94.94 -78.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 118' ' ' GLU . 93.6 m-85 -86.24 151.69 23.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 2.6 pt-20 -125.48 155.02 41.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD22 HG12 ' A' ' 114' ' ' VAL . 72.1 mt -101.63 132.73 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -116.31 173.72 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.525 HG23 ' HG ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -116.6 176.82 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' PHE . 7.1 t-20 -88.88 161.64 16.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 6.6 p90 -33.94 124.06 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 88' ' ' ASN . 18.3 Cg_endo -74.99 158.5 98.96 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.995 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -67.74 117.21 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.58 135.42 40.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -93.53 110.72 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 66' ' ' LEU . 85.5 mt -68.52 89.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 96' ' ' HIS . 33.2 t -174.72 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.79 ' NE2' HD23 ' A' ' 97' ' ' LEU . 18.9 p80 -39.61 -57.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD23 ' NE2' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -47.7 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.99 152.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -99.26 4.27 46.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -90.91 -12.43 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 105' ' ' GLU . 2.3 pt -74.53 -169.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 104' ' ' GLN . 2.3 p -112.1 151.61 29.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 61' ' ' PRO . 11.3 mt -40.46 -28.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.463 ' N ' ' C ' ' A' ' 102' ' ' THR . 36.3 tt0 -73.4 -53.42 10.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.8 mt-10 -48.88 -51.78 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 66' ' ' LEU . . . -55.37 -21.09 13.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' GLN . . . 80.99 36.1 22.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 94' ' ' LEU . 52.0 mt -98.96 -26.33 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.737 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.522 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 10.5 p -71.29 147.56 93.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 109' ' ' CYS . 18.5 Cg_endo -75.04 -41.23 1.03 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.005 0.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.3 140.02 47.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 4.2 tp10 -144.62 168.31 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 47' ' ' MET . 88.0 m -110.84 103.82 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.449 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.767 HG12 HD22 ' A' ' 85' ' ' LEU . 35.3 t -86.05 135.61 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 86' ' ' LEU . 86.7 m-85 -121.89 124.13 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.779 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -92.51 130.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 86' ' ' LEU . 10.3 pt20 -141.19 164.8 29.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 3.3 mt-10 -69.93 124.94 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -99.75 168.48 9.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -58.57 -151.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.72 85.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.0 t -141.93 -58.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 stop_ save_