data_1wfm_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 1wfm _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 ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 6.2 t-80 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 113' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CD1' HG23 ' A' ' 79' ' ' VAL . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.4 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.533 HG22 ' CH2' ' A' ' 127' ' ' TRP . 2.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.592 ' CD1' HD12 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG1' HD12 ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.5 ' CG2' ' HD2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD12 ' CD1' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 21' ' ' TYR . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 113' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.44 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 17' ' ' TYR . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.625 ' CE1' ' CD1' ' A' ' 113' ' ' LEU . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 79' ' ' VAL . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.581 HG22 ' CH2' ' A' ' 127' ' ' TRP . 3.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.401 ' C ' HD11 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.47 ' CG ' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.515 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 36' ' ' VAL . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' ' CG2' ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.428 ' N ' HD23 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.502 ' CG2' HG22 ' A' ' 95' ' ' THR . 4.8 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.625 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.581 ' CH2' HG22 ' A' ' 36' ' ' VAL . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 111' ' ' LEU . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.0 t-80 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.578 HG21 ' CZ3' ' A' ' 127' ' ' TRP . 25.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.434 ' CG2' ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 50' ' ' GLY . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.51 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.409 HG12 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.409 ' CD ' HG12 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 17' ' ' TYR . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 117' ' ' GLY . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 111' ' ' LEU . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 5.2 t-80 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE1' HD23 ' A' ' 113' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.572 ' CD1' HD21 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.522 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 46.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 64.9 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.487 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.441 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' VAL . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 26' ' ' ALA . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 17' ' ' TYR . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.412 ' N ' HG21 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 15' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 16.2 t-80 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 113' ' ' LEU . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD2' HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.542 ' CD1' HD23 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG22 ' CH2' ' A' ' 127' ' ' TRP . 4.4 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' CG1' HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CZ ' HG23 ' A' ' 89' ' ' THR . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.521 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.484 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' A' ' 36' ' ' VAL . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD22 ' CA ' ' A' ' 62' ' ' GLN . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.454 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.419 HG23 ' CZ ' ' A' ' 55' ' ' ARG . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.476 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 113' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 ' N ' HD21 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.556 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.473 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.498 ' CG2' HG22 ' A' ' 95' ' ' THR . 3.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.428 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 17' ' ' TYR . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.572 ' CH2' HG22 ' A' ' 36' ' ' VAL . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 17.3 t-80 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' GLY . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG22 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 59' ' ' VAL . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.444 ' CG2' HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.444 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 30' ' ' VAL . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.42 ' N ' HD23 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.497 HG21 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.497 ' CG1' HG21 ' A' ' 95' ' ' THR . 5.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 17' ' ' TYR . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.507 ' CG2' ' OD2' ' A' ' 116' ' ' ASP . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.512 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.571 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CE2' HD13 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 29' ' ' PHE . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.58 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 49.1 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.552 HG22 ' CH2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CH2' HG22 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 95' ' ' THR . 2.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.447 HD22 ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.437 ' CZ ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.576 HD23 ' CE1' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.447 ' C ' HD22 ' A' ' 111' ' ' LEU . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' CE1' HD22 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.508 HG21 ' CH2' ' A' ' 127' ' ' TRP . 22.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CD1' HD12 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.41 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.459 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.49 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG2' HG21 ' A' ' 95' ' ' THR . 4.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.459 ' CZ ' HG21 ' A' ' 91' ' ' THR . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 126' ' ' GLN . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.5 t-80 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' CE1' HD12 ' A' ' 113' ' ' LEU . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' CG2' HD22 ' A' ' 92' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.546 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 52.2 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 99' ' ' CYS . 15.5 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 97' ' ' ARG . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.457 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 93' ' ' THR . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.418 ' CG2' HD22 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.555 ' CD1' ' CE1' ' A' ' 21' ' ' TYR . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 21' ' ' TYR . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD22 ' CG2' ' A' ' 30' ' ' VAL . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.409 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.463 ' CZ ' HG21 ' A' ' 91' ' ' THR . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 91' ' ' THR . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.488 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.488 ' OE1' ' CG1' ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.758 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.488 ' CD1' ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.484 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.1 t-80 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 113' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 16' ' ' HIS . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 18.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.501 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.414 ' N ' HD22 ' A' ' 92' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 17' ' ' TYR . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 118' ' ' THR . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.484 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 14.7 t-80 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' GLY . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 3.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 ' CG2' HG13 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 62' ' ' GLN . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.477 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.583 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' CG ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.583 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 21' ' ' TYR . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.424 ' N ' HD11 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.483 HG23 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 95' ' ' THR . 4.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 17' ' ' TYR . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 119' ' ' SER . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 118' ' ' THR . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.569 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 15' ' ' LEU . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 130' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 4.1 t-160 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE1' HD13 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.574 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 28.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.525 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' CD2' HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.421 ' N ' HD23 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' A' ' 113' ' ' LEU . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 95' ' ' THR . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 119' ' ' SER . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 118' ' ' THR . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 28.6 t-80 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 113' ' ' LEU . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 19' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD2' HD22 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 ' CZ3' ' A' ' 127' ' ' TRP . 38.0 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.405 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.458 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.434 ' N ' HD21 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.495 ' CG2' HG22 ' A' ' 95' ' ' THR . 6.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CZ ' HG22 ' A' ' 91' ' ' THR . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 28' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 119' ' ' SER . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 118' ' ' THR . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.519 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 26.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.53 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' CD2' ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.591 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.499 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' O ' ' CD2' ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.471 HG23 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 95' ' ' THR . 2.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.458 ' CA ' ' HB3' ' A' ' 130' ' ' LEU . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.538 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.449 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 15' ' ' LEU . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 48' ' ' VAL . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 31.0 t-80 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.58 ' CE1' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 19' ' ' LEU . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 ' HB ' ' CD2' ' A' ' 78' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' CZ3' ' A' ' 127' ' ' TRP . 4.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' CB ' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' O ' ' CD2' ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.457 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 70' ' ' LEU . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.537 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 95' ' ' THR . 10.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.58 HD21 ' CE1' ' A' ' 17' ' ' TYR . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.47 ' HG1' ' N ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.47 ' N ' ' HG1' ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.536 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.785 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 20.4 t-80 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.511 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 5.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.697 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.511 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.555 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 21' ' ' TYR . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.499 ' CB ' HG13 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.589 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 95' ' ' THR . 61.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.425 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.438 ' CD ' ' HB ' ' A' ' 107' ' ' VAL . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.5 t-80 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 113' ' ' LEU . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.576 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 79' ' ' VAL . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.578 HG22 ' CH2' ' A' ' 127' ' ' TRP . 3.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.512 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 96' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.515 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' CG1' ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.489 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 5.4 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.537 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.429 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.488 ' CG2' HG23 ' A' ' 95' ' ' THR . 12.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.485 ' C ' HD23 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CH2' HG22 ' A' ' 36' ' ' VAL . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 15' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 130' ' ' LEU . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CD2' HD12 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 78' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 63' ' ' THR . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' HD11 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.478 HG22 ' CZ3' ' A' ' 74' ' ' TRP . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 92' ' ' LEU . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' OD1' ' CG1' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' CA ' HD23 ' A' ' 78' ' ' LEU . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' CD2' ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' VAL . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.425 ' CG ' HD13 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 21' ' ' TYR . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.49 HG21 ' CG1' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG1' HG21 ' A' ' 95' ' ' THR . 4.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.41 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 15' ' ' LEU . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 5.5 t-80 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' A' ' 113' ' ' LEU . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLU . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.578 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 17.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 99' ' ' CYS . 3.7 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD2' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.486 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.492 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 80' ' ' LEU . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CA ' HD23 ' A' ' 78' ' ' LEU . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.499 ' CG2' HG13 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 33' ' ' LEU . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.517 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.447 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 95' ' ' THR . 13.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 17' ' ' TYR . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 15' ' ' LEU . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.1 t-80 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CE2' HD13 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' HD21 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' CG2' HD22 ' A' ' 92' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 16' ' ' HIS . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 25.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' ' 65' ' ' LEU . 68.5 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.497 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' THR . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 72' ' ' THR . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' CA ' ' A' ' 62' ' ' GLN . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' CG ' HD13 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 94' ' ' LEU . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.573 HD21 ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.04 170.3 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 152.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.54 -156.26 7.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.34 170.98 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.041 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.85 168.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.3 -171.67 27.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.52 -62.35 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 65.8 157.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -75.9 -64.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.06 167.61 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.29 151.69 62.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 6.2 t-80 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 113' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CD1' HG23 ' A' ' 79' ' ' VAL . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.4 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.533 HG22 ' CH2' ' A' ' 127' ' ' TRP . 2.8 t -121.92 87.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.9 p -127.58 112.73 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -95.89 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -171.9 160.8 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.54 136.38 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 170.38 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.12 -144.25 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.31 147.67 15.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.6 p -166.46 154.87 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.15 96.0 10.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.592 ' CD1' HD12 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG1' HD12 ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.5 ' CG2' ' HD2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD12 ' CD1' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 21' ' ' TYR . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 113' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.44 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t -56.54 105.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 170.71 15.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -40.18 -65.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.16 24.44 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 m 60.93 57.34 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 0.1 OUTLIER -65.47 86.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER 160.33 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' HIS . 2.0 t 84.84 -65.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.17 138.47 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 17' ' ' TYR . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.14 58.83 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.5 p -38.65 -38.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.03 85.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.4 174.91 18.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.73 -57.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.36 156.71 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m 56.27 171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 62.37 150.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.62 -68.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m 63.57 173.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 66.01 148.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -144.58 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.68 -54.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 m95 61.47 162.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 52.75 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.67 126.7 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.36 152.88 46.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.625 ' CE1' ' CD1' ' A' ' 113' ' ' LEU . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 79' ' ' VAL . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.581 HG22 ' CH2' ' A' ' 127' ' ' TRP . 3.0 t -119.24 79.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' SER . 58.9 p -124.53 130.94 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' THR . 13.3 m -38.85 153.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -50.58 -55.75 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 73.92 157.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.03 -34.06 57.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.6 103.43 1.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.92 97.95 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.08 -172.7 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -89.87 115.75 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.401 ' C ' HD11 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.47 ' CG ' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.515 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 36' ' ' VAL . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' ' CG2' ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.428 ' N ' HD23 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.54 105.88 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.89 167.5 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.435 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mtt180 -45.74 -63.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 18.4 m-85 -116.17 -40.75 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 105' ' ' HIS . 0.3 OUTLIER 64.36 44.05 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.23 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 171.79 177.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -75.55 -170.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.502 ' CG2' HG22 ' A' ' 95' ' ' THR . 4.8 m -74.16 164.17 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.625 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.581 ' CH2' HG22 ' A' ' 36' ' ' VAL . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 111' ' ' LEU . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.01 57.13 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.1 p -38.18 -45.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.4 t 43.32 81.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.08 -139.29 7.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 133.68 16.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.2 p -168.61 169.59 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.3 t -56.37 110.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.14 175.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.47 -63.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.89 -173.38 4.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.94 170.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p 178.19 168.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -178.29 30.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 9' ' ' TRP . 1.3 t -178.21 158.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 80.36 64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 177.93 163.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -46.15 162.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.59 154.33 38.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.0 t-80 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CE2' HD12 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.578 HG21 ' CZ3' ' A' ' 127' ' ' TRP . 25.4 t -134.8 72.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.59 123.88 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -169.75 95.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -126.29 160.81 29.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.08 159.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 72.14 154.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.08 -152.52 5.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.08 5.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 72.89 179.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.4 m-20 -59.93 127.9 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.434 ' CG2' ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 50' ' ' GLY . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t -46.98 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.68 138.94 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.4 ttt85 -171.84 -67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' SER . 3.1 m-30 -110.06 -43.68 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER 84.07 36.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.044 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -61.76 -70.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 153.52 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -31.48 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.409 HG12 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t -126.07 130.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.409 ' CD ' HG12 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 17' ' ' TYR . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 117' ' ' GLY . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 111' ' ' LEU . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.3 mmtt -99.51 62.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' LYS . 74.3 p -35.54 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -63.06 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.57 156.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.79 8.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 104.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 -61.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -134.88 -57.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -40.36 159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 -128.65 2.73 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.43 167.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m 66.6 133.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 109.63 0.9 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -174.6 143.64 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.83 161.19 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.68 -60.29 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.15 125.79 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.53 153.21 42.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 5.2 t-80 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE1' HD23 ' A' ' 113' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.572 ' CD1' HD21 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.522 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 46.2 t -149.18 69.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' SER . 9.7 t -150.92 117.32 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' THR . 0.1 OUTLIER 161.04 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -160.37 -65.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.99 64.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.19 121.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.99 78.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.42 57.61 0.49 Allowed Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 167.81 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 64.9 m-20 -95.62 130.13 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.487 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.441 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 30' ' ' VAL . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 26' ' ' ALA . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t -60.42 128.45 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' ARG . 14.0 p30 -169.27 172.33 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.595 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 5.6 ttm-85 -38.56 -55.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 34.6 m-85 -154.21 98.97 2.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 58.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 102' ' ' PHE . 16.1 ptp180 -99.16 137.42 37.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m170 51.07 22.63 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 m -124.92 124.81 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.4 t -140.99 117.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 17' ' ' TYR . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.412 ' N ' HG21 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 15' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.97 56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -39.09 124.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 80.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -111.13 157.3 15.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 p -53.59 -39.54 64.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.38 -173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.92 171.39 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 170.78 7.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.79 -140.29 4.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.39 170.38 22.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 170.47 15.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 165.5 38.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' TRP . 5.3 t -171.87 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' SER . 33.0 p90 44.24 80.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.82 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 62.73 162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 152.55 36.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 16.2 t-80 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 113' ' ' LEU . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD2' HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.542 ' CD1' HD23 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG22 ' CH2' ' A' ' 127' ' ' TRP . 4.4 t -113.14 79.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.2 p -110.94 -173.85 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.2 p -152.78 164.6 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 61.96 155.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -171.09 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.23 -47.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.32 -164.67 13.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.81 81.95 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.2 m -142.89 151.73 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 145.12 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' CG1' HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CZ ' HG23 ' A' ' 89' ' ' THR . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.521 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.484 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' A' ' 36' ' ' VAL . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD22 ' CA ' ' A' ' 62' ' ' GLN . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 HG23 ' CZ ' ' A' ' 55' ' ' ARG . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.476 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 113' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 ' N ' HD21 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.498 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.556 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.473 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t -54.54 -102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' SG ' ' A' ' 99' ' ' CYS . 0.5 OUTLIER 69.57 177.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.516 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -52.77 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 43.9 m-85 -139.49 46.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.72 58.01 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 158.3 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 70.29 172.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -59.78 -176.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.498 ' CG2' HG22 ' A' ' 95' ' ' THR . 3.0 m -80.72 160.61 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.428 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 17' ' ' TYR . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.572 ' CH2' HG22 ' A' ' 36' ' ' VAL . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -99.86 60.67 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.7 p -50.91 150.18 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -168.47 89.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -168.94 176.44 43.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.9 p -127.72 175.39 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.9 t -137.02 148.76 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.5 -59.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.21 -60.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 -169.45 14.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -169.82 166.56 9.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -154.39 170.47 21.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.49 -159.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.4 t -125.12 -74.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -166.21 136.78 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 168.07 107.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.59 120.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.87 151.66 58.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 17.3 t-80 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' GLY . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t -120.5 82.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.5 p -119.49 -53.08 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t 74.21 171.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.82 113.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.32 89.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.02 -167.91 29.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE ' ' A' ' 68' ' ' ARG . . . 158.68 -67.52 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 179.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 -78.37 137.35 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG22 ' CZ3' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 59' ' ' VAL . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.444 ' CG2' HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' NE ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.444 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 30' ' ' VAL . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.42 ' N ' HD23 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.497 HG21 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t -41.25 144.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.11 142.1 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 1.9 tpt85 -158.49 -47.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 30.2 m-85 -150.18 28.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 m 51.84 68.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.97 43.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -86.89 155.1 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.88 179.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.497 ' CG1' HG21 ' A' ' 95' ' ' THR . 5.1 m -95.13 164.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 17' ' ' TYR . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.507 ' CG2' ' OD2' ' A' ' 116' ' ' ASP . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.512 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.571 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' THR . 2.4 mttt -97.05 57.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' LYS . 62.8 p -36.13 -43.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.82 -179.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.777 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.1 m -159.66 115.77 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -155.37 161.21 41.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -168.5 174.15 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 150.96 9.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -163.19 143.72 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -122.55 -72.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.89 -143.02 25.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t 69.1 113.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -161.61 154.03 19.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 108.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.45 -68.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 161.27 18.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.67 153.79 56.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CE2' HD13 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 29' ' ' PHE . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.58 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 49.1 t -126.79 70.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -102.63 -175.26 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.1 p -151.54 96.24 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -177.56 145.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.4 96.33 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -159.63 99.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.93 -169.59 14.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 71.15 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -124.63 161.77 25.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.02 125.74 49.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.552 HG22 ' CH2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CH2' HG22 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t -41.52 152.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -42.56 124.92 3.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.22 -69.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.43 ' HB2' ' CG ' ' A' ' 104' ' ' ARG . 43.8 m-85 -137.59 14.28 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.18 53.12 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -153.33 -45.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -48.83 149.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -120.4 -159.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 95' ' ' THR . 2.6 t -55.92 121.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.447 HD22 ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.437 ' CZ ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.576 HD23 ' CE1' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' C ' HD22 ' A' ' 111' ' ' LEU . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -95.82 60.5 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' LYS . 66.6 p -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 m 40.13 78.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.72 177.93 46.9 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.51 160.64 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.47 152.53 50.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -51.31 150.11 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.4 m -159.38 -60.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 -65.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 70.15 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -51.26 143.91 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.05 79.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -164.96 166.03 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -143.22 -64.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.18 137.54 11.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 64.63 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.76 154.65 48.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HG3' ' CG2' ' A' ' 132' ' ' THR . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' CE1' HD22 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.508 HG21 ' CH2' ' A' ' 127' ' ' TRP . 22.7 t -129.97 89.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.8 p -112.01 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.23 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 45.6 t30 -133.18 140.69 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 39' ' ' ASN . 4.3 m-70 -167.44 75.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.34 149.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.8 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.1 -34.37 4.14 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 m -58.51 179.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -91.98 134.58 34.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CD1' HD12 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 ' CD1' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.41 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' A' ' 82' ' ' LEU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.459 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' CD1' HD13 ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.49 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' ASP . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t -53.61 93.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -144.24 161.98 37.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -51.53 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.13 -36.9 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 68.33 53.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -40.95 161.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 68.58 155.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -52.64 168.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG2' HG21 ' A' ' 95' ' ' THR . 4.7 m -50.68 168.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' CZ ' HG21 ' A' ' 91' ' ' THR . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 126' ' ' GLN . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.531 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' THR . 5.3 mmpt? -93.17 63.66 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 13' ' ' PRO . 71.9 p -38.43 -45.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -71.69 123.82 23.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 135.15 158.79 8.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.39 38.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 t -102.76 110.44 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 132.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -145.37 159.46 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -103.3 -60.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.42 -164.41 26.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 162.73 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -95.95 -59.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.49 -79.92 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.4 p 60.61 170.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.984 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -156.82 -70.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.58 -75.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -64.84 167.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.53 151.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.5 t-80 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' CE1' HD12 ' A' ' 113' ' ' LEU . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.555 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' CG2' HD22 ' A' ' 92' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.546 ' O ' ' CH2' ' A' ' 127' ' ' TRP . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 52.2 t -129.54 68.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.8 p -67.15 -52.01 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER 61.51 126.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 46.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -167.71 92.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.57 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.52 97.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.94 -76.48 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.94 -44.31 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.7 p -48.94 171.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 99' ' ' CYS . 15.5 m-20 -82.02 109.86 16.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 97' ' ' ARG . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.457 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 93' ' ' THR . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.418 ' CG2' HD22 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.555 ' CD1' ' CE1' ' A' ' 21' ' ' TYR . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 21' ' ' TYR . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD22 ' CG2' ' A' ' 30' ' ' VAL . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t -45.53 118.18 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -162.02 167.63 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.54 ' CB ' ' CD1' ' A' ' 102' ' ' PHE . 6.3 mtt180 -38.21 -56.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CD1' ' CB ' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -159.94 98.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.438 ' O ' ' NE ' ' A' ' 97' ' ' ARG . 78.3 p -68.91 57.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 1.1 ptt85 -119.75 56.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 106' ' ' SER . 6.5 p80 -174.81 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 105' ' ' HIS . 68.3 m -119.76 158.55 26.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t -146.68 134.03 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.488 ' HA3' ' CD1' ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.409 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' CZ ' HG21 ' A' ' 91' ' ' THR . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 91' ' ' THR . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.488 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.488 ' OE1' ' CG1' ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.758 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.488 ' CD1' ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -93.2 10.24 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.9 p 43.67 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -171.12 109.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.93 -148.49 19.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -177.92 3.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 110.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.2 p -161.32 160.97 30.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 156.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m 65.63 162.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -153.43 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.39 137.69 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -178.61 170.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 -176.72 44.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.14 158.72 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.419 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -156.41 -63.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.55 171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -39.28 157.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.21 153.54 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.1 t-80 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 113' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 16' ' ' HIS . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 18.9 t -118.11 77.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.7 p -120.12 97.38 5.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -41.03 -60.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 173.33 164.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.33 -64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -176.12 97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.41 -104.87 0.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -29.83 7.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.0 m -89.13 -178.81 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.58 136.44 36.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.501 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.414 ' N ' HD22 ' A' ' 92' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.51 112.46 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.37 159.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.3 ttm180 -39.01 -50.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 101' ' ' ARG . 1.1 m-85 -123.97 -54.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER 163.51 61.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.12 54.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.75 140.8 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 -74.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.82 139.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 17' ' ' TYR . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 118' ' ' THR . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.484 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' THR . 6.6 mmpt? -94.86 58.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 54.3 p -37.62 -47.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.4 p -156.14 80.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.89 -147.17 14.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.31 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.19 170.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.9 t -116.92 151.82 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.85 126.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.86 -64.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.82 -177.26 20.33 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -162.06 170.05 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -155.99 130.78 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.64 -176.29 14.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 175.95 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -168.85 123.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.77 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -43.13 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.27 155.4 76.4 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 14.7 t-80 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' GLY . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 3.6 t -122.01 75.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.6 p -91.56 96.34 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -47.68 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.48 133.07 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.577 ' CG ' ' NH2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 177.93 124.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.639 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.49 135.41 31.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.29 170.87 23.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.63 -168.27 36.77 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.9 138.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 -71.47 166.05 22.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 ' CG2' HG13 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.483 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.577 ' NH2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 62' ' ' GLN . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 28' ' ' LEU . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.477 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.583 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' CG ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.583 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 21' ' ' TYR . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.424 ' N ' HD11 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.483 HG23 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t -42.96 155.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.64 107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -127.68 -58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -133.78 -44.07 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t 72.17 45.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' HIS . 5.9 mtt-85 -84.32 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ARG . 17.4 m-70 51.91 176.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 m 69.58 179.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 95' ' ' THR . 4.0 m -136.48 167.92 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 17' ' ' TYR . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 119' ' ' SER . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 118' ' ' THR . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.569 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 15' ' ' LEU . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 133' ' ' SER . 6.3 mmpt? -93.36 57.46 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.6 p -38.68 97.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -176.63 133.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -160.75 157.68 29.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.46 4.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.438 1.757 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 144.46 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.8 p -171.54 156.9 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.24 164.71 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.77 169.31 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -169.03 21.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -172.79 158.91 4.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.12 161.27 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 148.25 8.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -175.11 167.11 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' TRP . 1.2 p-90 -171.71 107.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -171.25 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.23 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.51 166.31 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.05 158.31 32.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' CD2' ' A' ' 130' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 4.1 t-160 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE1' HD13 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLY . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.574 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 28.3 t -142.64 62.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -72.62 -56.8 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p 55.14 71.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -156.56 168.64 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -77.88 148.49 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.81 172.32 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.62 75.22 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.18 -118.9 1.76 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.45 147.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -93.05 132.24 37.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.525 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' CD2' HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.421 ' N ' HD23 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' A' ' 113' ' ' LEU . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t -74.81 89.83 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.33 163.17 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 101' ' ' ARG . 23.8 ttm105 -55.46 -65.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.7 -37.57 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER 47.9 42.28 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -51.16 161.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 107' ' ' VAL . 38.3 t -62.81 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 95' ' ' THR . 4.6 m -71.0 163.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 119' ' ' SER . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 118' ' ' THR . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -95.0 51.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.1 p -38.47 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.6 p -91.47 126.19 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.18 156.63 22.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 t 63.28 92.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.2 m -42.63 160.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -92.2 171.13 9.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -57.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 169.16 52.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.59 161.96 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -175.2 161.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.19 -147.77 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m 65.45 123.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -176.04 161.68 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 108.024 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.28 -63.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -94.83 176.58 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.54 154.15 71.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HG2' ' CG2' ' A' ' 132' ' ' THR . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 28.6 t-80 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CZ ' HD22 ' A' ' 113' ' ' LEU . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 19' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD2' HD22 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.54 HG22 ' CZ3' ' A' ' 127' ' ' TRP . 38.0 t -121.28 80.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 38' ' ' SER . 30.3 p -107.19 -64.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.3 m 79.87 93.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -178.36 156.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -142.35 59.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.98 -52.39 2.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.62 -60.56 8.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.54 -51.14 2.36 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.2 m -50.16 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.05 140.48 33.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.405 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.458 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HG2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.434 ' N ' HD21 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.495 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t -48.45 100.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -73.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 177.48 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -124.56 -42.04 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 p 52.72 41.56 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -97.41 130.51 44.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 24.4 m170 62.71 138.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.643 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 m 63.82 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.495 ' CG2' HG22 ' A' ' 95' ' ' THR . 6.8 m -132.28 167.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CZ ' HG22 ' A' ' 91' ' ' THR . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 28' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 119' ' ' SER . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 118' ' ' THR . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 13.3 mmtt -71.66 -27.84 63.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 13' ' ' PRO . 4.0 p 38.3 -146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 m -170.87 -179.79 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -41.73 150.89 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.72 85.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.935 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 t -169.22 78.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.51 155.01 27.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 170.05 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -166.24 -61.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.3 p -39.41 148.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.08 161.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.71 -121.73 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.16 113.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.41 144.93 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 61.3 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 57.48 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.92 155.0 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' HD23 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' HD23 ' A' ' 113' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.519 ' CG2' ' CZ3' ' A' ' 127' ' ' TRP . 26.8 t -147.44 76.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.9 p -102.98 175.63 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.1 t -134.9 101.23 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -161.87 153.1 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 47.4 t-80 -145.45 166.87 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 4.9 t0 55.45 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.43 88.5 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.37 107.18 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.0 m -132.04 135.23 46.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -75.38 111.41 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.53 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' CD2' ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.591 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.499 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.527 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' O ' ' CD2' ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.471 HG23 ' CG1' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t -95.53 27.59 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.379 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 7.4 mtt-85 -65.27 -60.39 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 10.9 m-85 -111.9 -44.36 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' HIS . 1.5 m 76.21 50.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 105' ' ' HIS . 2.5 mtt180 -63.31 77.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 168.51 146.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.604 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 m -45.19 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 95' ' ' THR . 2.9 m -133.38 171.0 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.458 ' CA ' ' HB3' ' A' ' 130' ' ' LEU . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.538 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.519 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.449 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 15' ' ' LEU . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -91.1 17.05 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.2 p 40.31 -142.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 t -52.55 128.46 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.94 172.51 22.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -74.97 61.67 5.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' PRO . 0.5 OUTLIER 162.83 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.12 138.97 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -168.94 155.0 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -177.4 155.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 176.05 47.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -177.8 163.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -178.31 163.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.23 160.41 30.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p -178.71 160.16 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -172.86 110.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 173.8 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 64.24 149.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 140.99 22.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 132' ' ' THR . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 48' ' ' VAL . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 31.0 t-80 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.58 ' CE1' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 19' ' ' LEU . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 ' HB ' ' CD2' ' A' ' 78' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' CZ3' ' A' ' 127' ' ' TRP . 4.5 t -119.5 74.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -165.08 151.0 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 p -130.55 138.66 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.29 127.42 55.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -96.78 -62.29 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.22 106.88 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.77 93.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.85 148.27 16.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.4 m -156.55 -174.55 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' CB ' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 -57.18 136.57 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' O ' ' CD2' ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.457 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 70' ' ' LEU . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 54' ' ' ASN . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.537 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.484 HG21 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t -55.37 -103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.5 ' CG ' ' CD2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER 58.04 171.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.23 36.05 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD2' ' CG ' ' A' ' 100' ' ' ASP . 17.8 m-85 -116.04 -44.38 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t 53.4 36.68 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -106.5 158.64 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 65.27 143.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 136' ' ' SER . 15.3 m -51.35 -177.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' HG21 ' A' ' 95' ' ' THR . 10.2 m -55.13 168.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.58 HD21 ' CE1' ' A' ' 17' ' ' TYR . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.47 ' HG1' ' N ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.47 ' N ' ' HG1' ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.536 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -66.92 -33.34 75.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 13' ' ' PRO . 31.4 p 43.18 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.7 m 39.03 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.57 166.6 33.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 145.98 32.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.427 ' N ' ' OG ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -46.51 143.82 2.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -47.63 113.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -170.96 152.65 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 151.77 23.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -158.66 168.1 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 168.53 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 -161.83 10.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.88 170.32 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -120.24 142.98 48.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.97 178.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.93 165.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.17 154.95 47.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.785 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 20.4 t-80 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.511 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 5.0 t -138.73 74.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -159.52 157.35 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -121.87 129.24 52.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.13 148.17 25.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.7 m80 59.89 162.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -156.45 138.97 14.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.71 -51.93 0.83 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.53 86.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.43 141.42 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.93 103.74 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.697 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.511 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 62' ' ' GLN . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.555 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' N ' ' OE1' ' A' ' 27' ' ' GLU . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 21' ' ' TYR . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.425 ' N ' HD23 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.499 ' CB ' HG13 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.589 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t -76.83 144.15 39.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -178.78 162.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -40.59 -63.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -108.27 -45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t 76.46 45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -61.34 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.09 -174.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.8 p -111.1 -158.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.499 HG13 ' CB ' ' A' ' 95' ' ' THR . 61.2 t -63.28 146.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.425 ' H ' ' CG1' ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' CD ' ' HB ' ' A' ' 107' ' ' VAL . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt -93.72 67.88 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 63.4 p -37.84 99.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.56 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.09 -155.81 4.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 76.7 p -167.73 69.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.3 t -126.12 -55.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.99 165.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -175.19 170.81 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 -178.36 27.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -175.01 163.32 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -175.36 163.64 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.53 166.52 32.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 144.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -177.04 160.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.13 -55.86 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 171.38 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.84 152.14 45.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HG3' ' CG2' ' A' ' 132' ' ' THR . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.5 t-80 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 113' ' ' LEU . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.576 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 79' ' ' VAL . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.578 HG22 ' CH2' ' A' ' 127' ' ' TRP . 3.8 t -131.97 81.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.2 p -122.98 144.74 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -114.72 166.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.04 106.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' HD1' ' A' ' 40' ' ' HIS . 2.1 p-80 -152.59 126.94 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -80.35 121.71 26.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.8 -135.41 38.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.06 116.59 2.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.88 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.512 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 1.7 m-20 -111.6 110.67 21.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 96' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.515 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' CG1' ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.489 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 5.4 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.537 ' CG2' ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.512 ' CD1' ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 73' ' ' THR . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.429 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 50' ' ' GLY . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 111' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.488 HG23 ' CG2' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.07 96.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.07 175.51 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -53.14 11.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.93 -40.43 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m 68.62 43.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -79.59 -176.7 5.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.02 179.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -66.82 -179.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.488 ' CG2' HG23 ' A' ' 95' ' ' THR . 12.4 m -78.41 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' C ' HD23 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CH2' HG22 ' A' ' 36' ' ' VAL . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 15' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -94.89 61.11 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.416 ' CG2' ' HG3' ' A' ' 13' ' ' PRO . 69.2 p -37.73 137.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m 70.48 136.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.12 175.17 14.22 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 137.94 22.29 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -79.89 -58.64 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 t -124.85 162.96 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -141.9 157.4 45.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 66.06 168.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.54 -148.45 4.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.0 167.56 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 0.732 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.27 171.3 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.06 -90.25 0.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t 65.24 127.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -156.19 143.55 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -42.13 159.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 43.5 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 157.17 62.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 130' ' ' LEU . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CD2' HD12 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 78' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' A' ' 63' ' ' THR . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 t -141.55 79.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 p -106.22 140.27 39.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.9 p -109.78 -45.98 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -40.47 112.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 157.49 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.645 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -160.86 165.47 30.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.75 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.32 -113.88 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 m 65.13 -179.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -104.93 126.2 51.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' HD11 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.478 HG22 ' CZ3' ' A' ' 74' ' ' TRP . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 92' ' ' LEU . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' OD1' ' CG1' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' CA ' HD23 ' A' ' 78' ' ' LEU . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' CD2' ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' HG22 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' VAL . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' CG ' HD13 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 21' ' ' TYR . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.49 HG21 ' CG1' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t -49.25 116.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -160.46 161.92 33.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.586 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 11.5 ttm180 -42.15 -55.09 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 46.7 m-85 -154.62 99.47 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 59.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.5 mtp180 -42.89 -55.7 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -56.42 178.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.6 m -70.87 -174.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.49 ' CG1' HG21 ' A' ' 95' ' ' THR . 4.3 m -80.43 159.04 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.41 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 15' ' ' LEU . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.72 70.87 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.3 p -76.32 108.86 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 t -69.83 -60.2 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 171.16 156.73 11.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 56.1 4.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.802 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.63 104.0 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.0 t -40.57 154.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -161.12 168.67 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -142.2 -63.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.02 175.63 20.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.87 154.68 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -170.55 167.14 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.01 175.02 46.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 t -170.29 160.25 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -170.04 167.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 107.974 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -54.84 169.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.74 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.68 150.7 68.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 5.5 t-80 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' A' ' 113' ' ' LEU . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLU . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.578 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 17.2 t -115.6 72.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -88.6 -167.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.8 p -156.9 87.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -154.6 158.65 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -48.99 121.01 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.08 167.49 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.9 111.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.62 109.14 1.71 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 65.63 142.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 99' ' ' CYS . 3.7 m-20 -90.03 140.32 29.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD2' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG13 ' CG2' ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.486 ' HB ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.492 ' CG2' ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 80' ' ' LEU . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' A' ' 80' ' ' LEU . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CA ' HD23 ' A' ' 78' ' ' LEU . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.499 ' CG2' HG13 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 33' ' ' LEU . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.517 ' N ' HD21 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' N ' ' OH ' ' A' ' 21' ' ' TYR . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.447 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' CG2' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t -42.37 141.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -55.49 136.01 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.554 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.7 ttt180 -135.75 -57.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 24.2 m-85 -143.65 27.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.9 m 58.73 63.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.92 123.67 30.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -67.29 169.04 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m 63.07 -179.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.494 ' CG2' HG22 ' A' ' 95' ' ' THR . 13.3 m -116.54 173.9 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 110' ' ' GLU . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' ' CD2' ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 17' ' ' TYR . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 15' ' ' LEU . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.3 mmpt? -94.34 58.58 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' LYS . 67.6 p -37.38 -65.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 90.15 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.98 169.36 41.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 57.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -130.59 111.22 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.5 115.32 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -176.56 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.12 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.91 46.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -142.96 169.59 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.95 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . 89.33 -69.25 2.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER 77.8 -61.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.93 159.72 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -114.68 92.33 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.96 149.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.57 152.78 53.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.1 t-80 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CE2' HD13 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.563 ' CD1' HD21 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 80' ' ' LEU . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' CG2' HD22 ' A' ' 92' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 16' ' ' HIS . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 25.0 t -136.1 68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 p -110.19 128.46 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 p -102.28 153.52 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 54.82 174.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.8 m170 64.16 175.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.544 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.98 115.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.43 -115.67 2.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.43 81.75 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m -146.89 153.27 39.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' ' 65' ' ' LEU . 68.5 m-20 -77.55 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.497 ' CB ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' THR . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 72' ' ' THR . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' CA ' ' A' ' 62' ' ' GLN . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' CG ' HD13 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.558 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 21' ' ' TYR . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 94' ' ' LEU . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t -52.89 102.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.25 -176.85 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -52.45 -56.47 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -117.01 -36.46 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.4 m 65.32 52.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -69.29 171.71 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -40.73 112.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.33 -62.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t 64.23 124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.573 HD21 ' N ' ' A' ' 113' ' ' LEU . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.6 mmpt? -99.31 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 80.8 p -37.79 149.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 p 55.92 -177.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.51 -175.31 18.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.4 p -62.6 -57.52 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t 63.49 121.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 16' ' ' HIS . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 15' ' ' LEU . 26.3 t60 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' HD2' HD21 ' A' ' 19' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.8 ' N ' HD13 ' A' ' 28' ' ' LEU . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.737 HG22 ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 36' ' ' VAL . 2.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HB3' HD12 ' A' ' 65' ' ' LEU . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.854 ' HB3' HD13 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.565 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.859 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 HD21 ' A' ' 78' ' ' LEU . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 34' ' ' GLU . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.737 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 63' ' ' THR . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.859 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 115' ' ' LEU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.732 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.799 HD11 HD21 ' A' ' 94' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 92' ' ' LEU . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 95' ' ' THR . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.671 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 112' ' ' ARG . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 82' ' ' LEU . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.431 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.847 HG21 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 96' ' ' LEU . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.766 ' HB2' HG13 ' A' ' 30' ' ' VAL . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.622 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.728 ' N ' HD13 ' A' ' 28' ' ' LEU . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.602 HG22 ' HA3' ' A' ' 77' ' ' GLY . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.752 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HB3' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.672 HG23 HD21 ' A' ' 78' ' ' LEU . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.725 HG22 ' CG ' ' A' ' 34' ' ' GLU . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.602 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 87' ' ' LEU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.792 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.411 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.878 ' N ' HD22 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.925 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 108' ' ' ALA . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.925 HG21 HG22 ' A' ' 95' ' ' THR . 4.8 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.626 ' O ' HD23 ' A' ' 113' ' ' LEU . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 112' ' ' ARG . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.73 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 94' ' ' LEU . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.2 t60 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.697 ' OH ' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.946 ' N ' HD13 ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 94' ' ' LEU . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 16' ' ' HIS . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.826 ' HG ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.822 ' HG2' HG22 ' A' ' 73' ' ' THR . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.557 ' CB ' HD23 ' A' ' 65' ' ' LEU . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG21 ' HG ' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 93' ' ' THR . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.534 HG23 ' OE1' ' A' ' 86' ' ' GLU . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.822 HG22 ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 63' ' ' THR . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.511 HD12 ' HB ' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 86' ' ' GLU . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.605 ' CG ' HD12 ' A' ' 87' ' ' LEU . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.66 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 84' ' ' GLU . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.671 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.492 HG11 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.492 ' CD ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.653 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 112' ' ' ARG . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 92' ' ' LEU . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HB2' ' HG3' ' A' ' 32' ' ' ARG . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.561 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 13' ' ' PRO . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD21 ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HD13 ' A' ' 33' ' ' LEU . 28.0 t60 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 19' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 46.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.581 ' CB ' HD12 ' A' ' 65' ' ' LEU . 64.9 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.542 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.746 HG23 HD21 ' A' ' 78' ' ' LEU . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ASP . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 34' ' ' GLU . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' HD23 ' A' ' 33' ' ' LEU . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.746 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 87' ' ' LEU . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.824 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.766 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD12 ' H ' ' A' ' 93' ' ' THR . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.669 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.691 HG22 HG11 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.691 HG11 HG22 ' A' ' 95' ' ' THR . 8.4 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.865 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.865 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.63 HD23 HD12 ' A' ' 111' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.617 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 48.4 t60 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' HG13 ' A' ' 30' ' ' VAL . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.683 ' N ' HD13 ' A' ' 28' ' ' LEU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 17' ' ' TYR . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.884 HD22 HG11 ' A' ' 48' ' ' VAL . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' HG22 ' A' ' 73' ' ' THR . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.4 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' CB ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.884 HG11 HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.514 HG23 ' OE2' ' A' ' 86' ' ' GLU . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.473 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.576 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.577 HG22 ' HG2' ' A' ' 34' ' ' GLU . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.496 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 80' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.787 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.787 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 92' ' ' LEU . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.941 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.941 HG21 HG22 ' A' ' 95' ' ' THR . 3.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.715 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.83 ' CZ ' HG21 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 112' ' ' ARG . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.721 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.42 ' HB1' ' NE2' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 57.7 t60 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 78' ' ' LEU . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' CH2' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.643 HG23 HD13 ' A' ' 80' ' ' LEU . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.743 HG23 ' OE1' ' A' ' 86' ' ' GLU . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.936 HG23 HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 70' ' ' LEU . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.561 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 63' ' ' THR . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.643 HD13 HG23 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.916 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.916 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.654 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.756 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 HG22 ' A' ' 95' ' ' THR . 5.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.609 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.729 HD21 ' C ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.699 ' O ' HD23 ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 112' ' ' ARG . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.66 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 119' ' ' SER . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.708 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.708 ' OE1' HG12 ' A' ' 120' ' ' VAL . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.729 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.655 ' OH ' HD21 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG11 HD21 ' A' ' 94' ' ' LEU . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 48' ' ' VAL . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 36' ' ' VAL . 49.1 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' HD12 ' A' ' 65' ' ' LEU . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.842 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.644 HG23 ' CZ2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 92' ' ' LEU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' OE1' ' A' ' 86' ' ' GLU . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.786 HG23 HD21 ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.842 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.644 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.618 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.894 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.894 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 93' ' ' THR . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 92' ' ' LEU . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 30' ' ' VAL . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.5 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.65 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD21 ' OH ' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.401 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 111' ' ' LEU . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.917 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.821 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 48' ' ' VAL . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 73' ' ' THR . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 22.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HD12 ' A' ' 65' ' ' LEU . 54.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.853 ' HB3' HD13 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 33' ' ' LEU . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.823 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.518 HG21 ' CD1' ' A' ' 33' ' ' LEU . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.823 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 87' ' ' LEU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.777 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.777 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.65 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 111' ' ' LEU . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.87 ' CD1' HD11 ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.942 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.769 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.942 HG21 HG22 ' A' ' 95' ' ' THR . 4.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.82 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.666 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.743 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.542 HG21 HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.525 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.82 HD23 HD12 ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' ND1' ' CD1' ' A' ' 127' ' ' TRP . 21.9 t60 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' A' ' 115' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 94' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 HG11 ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.712 ' HG2' HG22 ' A' ' 73' ' ' THR . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 52.2 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.701 ' HB3' HD12 ' A' ' 65' ' ' LEU . 15.5 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.846 ' HB3' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.834 HG11 HD22 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.828 HG11 ' HG2' ' A' ' 81' ' ' PRO . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 HD21 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.712 HG22 ' HG2' ' A' ' 34' ' ' GLU . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CH2' HG23 ' A' ' 48' ' ' VAL . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD21 HG23 ' A' ' 63' ' ' THR . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.603 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.828 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.808 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.691 ' HG2' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 93' ' ' THR . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 30' ' ' VAL . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.796 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.852 ' HA3' HD13 ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 120' ' ' VAL . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 28' ' ' LEU . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.839 HG12 ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.839 ' OE1' HG12 ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.559 ' CD1' ' ND1' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.625 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.852 HD13 ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' A' ' 129' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 33' ' ' LEU . 28.1 t60 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' LEU . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HA3' ' A' ' 77' ' ' GLY . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' HG2' HG22 ' A' ' 73' ' ' THR . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 36' ' ' VAL . 18.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.794 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.646 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.952 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.865 HG23 HD21 ' A' ' 78' ' ' LEU . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD12 ' CB ' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.531 HG22 ' HG2' ' A' ' 34' ' ' GLU . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.865 HD21 HG23 ' A' ' 63' ' ' THR . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.952 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.843 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.803 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.664 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 113' ' ' LEU . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 111' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.465 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.789 HD12 HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 112' ' ' ARG . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD22 ' HG ' ' A' ' 28' ' ' LEU . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.46 ' CH2' HG23 ' A' ' 36' ' ' VAL . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.789 HD23 HD12 ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 32' ' ' ARG . 56.0 t60 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 113' ' ' LEU . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CE2' HD11 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' N ' HD13 ' A' ' 28' ' ' LEU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 19' ' ' LEU . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.595 ' HB3' ' CD2' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 48' ' ' VAL . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 73' ' ' THR . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 33' ' ' LEU . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.767 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.77 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 HD21 ' A' ' 78' ' ' LEU . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 34' ' ' GLU . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 50' ' ' GLY . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 50' ' ' GLY . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.801 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.801 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.883 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.633 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.019 HD11 HD13 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.73 ' N ' HD13 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.019 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.08 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.771 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.08 HG21 HG22 ' A' ' 95' ' ' THR . 4.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD11 HD22 ' A' ' 94' ' ' LEU . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 13' ' ' PRO . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 7.5 t60 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.644 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 HD21 ' A' ' 94' ' ' LEU . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.582 HD11 HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 36' ' ' VAL . 28.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.635 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 HD11 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' OE1' ' A' ' 86' ' ' GLU . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.835 HG23 HD21 ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.835 HD21 HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.674 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.858 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.649 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.754 ' N ' HD22 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 30' ' ' VAL . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.92 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.781 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.586 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 108' ' ' ALA . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.92 HG21 HG22 ' A' ' 95' ' ' THR . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.66 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 112' ' ' ARG . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 1.003 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.587 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HB3' HD23 ' A' ' 111' ' ' LEU . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.585 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 51.9 t60 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 113' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' O ' ' HD2' ' A' ' 16' ' ' HIS . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.701 ' HG2' HG22 ' A' ' 73' ' ' THR . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 36' ' ' VAL . 38.0 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.688 HG23 ' OE1' ' A' ' 86' ' ' GLU . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.851 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.617 HG23 HD21 ' A' ' 78' ' ' LEU . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' HG2' ' A' ' 34' ' ' GLU . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' HG23 ' A' ' 48' ' ' VAL . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD21 HG23 ' A' ' 63' ' ' THR . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.851 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.854 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.688 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.781 ' O ' HG22 ' A' ' 52' ' ' VAL . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.461 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.614 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.797 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.738 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.611 HG23 ' HB2' ' A' ' 108' ' ' ALA . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 95' ' ' THR . 6.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.667 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.656 ' O ' HD23 ' A' ' 113' ' ' LEU . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 92' ' ' LEU . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 92' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.419 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 13' ' ' PRO . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' HD13 ' A' ' 33' ' ' LEU . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' HG ' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 HD21 ' A' ' 94' ' ' LEU . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.818 ' CG ' HG22 ' A' ' 73' ' ' THR . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' VAL . 26.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.75 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.575 ' O ' HD13 ' A' ' 65' ' ' LEU . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 92' ' ' LEU . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.813 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.799 HG23 ' OE1' ' A' ' 86' ' ' GLU . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 HD21 ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.75 HD12 ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.76 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.799 ' OE1' HG23 ' A' ' 56' ' ' THR . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.501 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.615 HD11 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.896 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 108' ' ' ALA . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.896 HG21 HG22 ' A' ' 95' ' ' THR . 2.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LEU . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.743 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.899 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.899 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.524 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.643 ' N ' HD21 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 13' ' ' PRO . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 130' ' ' LEU . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 70.3 t60 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 30' ' ' VAL . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.985 HG12 HD21 ' A' ' 33' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.741 HG22 ' HA3' ' A' ' 77' ' ' GLY . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 16' ' ' HIS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.985 HD21 HG12 ' A' ' 30' ' ' VAL . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.745 ' HB3' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.848 HG11 HD22 ' A' ' 33' ' ' LEU . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.972 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 92' ' ' LEU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 86' ' ' GLU . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.741 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.84 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.721 HG22 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.972 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.727 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 87' ' ' LEU . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.733 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD21 ' A' ' 82' ' ' LEU . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 51' ' ' SER . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 92' ' ' LEU . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 30' ' ' VAL . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.843 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.843 HG21 HG22 ' A' ' 95' ' ' THR . 10.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.779 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.686 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 112' ' ' ARG . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.842 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.765 HG23 ' H ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.765 ' H ' HG23 ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 113' ' ' LEU . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.699 ' CH2' HG23 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.694 ' N ' HD13 ' A' ' 15' ' ' LEU . 73.7 t60 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 113' ' ' LEU . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' N ' HD13 ' A' ' 28' ' ' LEU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 HD22 ' A' ' 19' ' ' LEU . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 36' ' ' VAL . 5.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.82 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 33' ' ' LEU . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.637 HG23 ' OE1' ' A' ' 86' ' ' GLU . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.844 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.795 HG23 HD21 ' A' ' 78' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.795 HD21 HG23 ' A' ' 63' ' ' THR . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.685 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.844 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 87' ' ' LEU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.679 ' HG2' HD12 ' A' ' 87' ' ' LEU . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.779 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.851 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.987 HG12 ' H ' ' A' ' 109' ' ' GLY . 61.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.987 ' H ' HG12 ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.851 ' HG3' HG22 ' A' ' 95' ' ' THR . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.409 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.646 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CD1' ' ND1' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.528 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 111' ' ' LEU . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD21 ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 34.3 t60 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 30' ' ' VAL . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 28' ' ' LEU . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 19' ' ' LEU . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.57 HG22 ' HA3' ' A' ' 77' ' ' GLY . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.919 ' CD1' HG21 ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.704 ' HB3' HD12 ' A' ' 65' ' ' LEU . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 65' ' ' LEU . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HD1' HD11 ' A' ' 65' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.576 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' O ' HD13 ' A' ' 78' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.0 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.919 HG21 ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.57 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 61' ' ' ALA . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.796 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 87' ' ' LEU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.668 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.685 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.697 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.041 HD11 HD13 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.698 ' N ' HD22 ' A' ' 92' ' ' LEU . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.041 HD13 HD11 ' A' ' 92' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.796 HG22 HG11 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 107' ' ' VAL . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.796 HG11 HG22 ' A' ' 95' ' ' THR . 12.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.535 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.751 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.969 ' C ' HD22 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.969 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.751 HD23 HD12 ' A' ' 111' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 16' ' ' HIS . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 15' ' ' LEU . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.666 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 28' ' ' LEU . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' HA3' ' A' ' 77' ' ' GLY . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.906 HD22 HG11 ' A' ' 48' ' ' VAL . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.511 ' CG ' HG22 ' A' ' 73' ' ' THR . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' HD12 ' A' ' 65' ' ' LEU . 14.7 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.789 ' HB3' HD13 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.906 HG11 HD22 ' A' ' 33' ' ' LEU . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.649 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' CD ' ' A' ' 86' ' ' GLU . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.928 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.683 HG23 HD21 ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 34' ' ' GLU . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CH2' HG23 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 63' ' ' THR . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.928 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.841 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.828 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.828 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.948 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.064 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.064 HG21 HG22 ' A' ' 95' ' ' THR . 4.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.557 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.484 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.666 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.803 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.948 HD11 ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 13' ' ' PRO . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 29.4 t60 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.642 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 19' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' HA3' ' A' ' 77' ' ' GLY . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 30' ' ' VAL . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 17.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.582 ' HB2' HD12 ' A' ' 65' ' ' LEU . 3.7 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.781 ' HB3' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.547 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.539 ' O ' HD22 ' A' ' 92' ' ' LEU . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.673 HG23 ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.739 HG23 HG12 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.593 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.783 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.898 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.412 ' CA ' HD21 ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.53 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.989 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.87 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 95' ' ' THR . 13.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 107' ' ' VAL . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 112' ' ' ARG . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.596 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.576 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 13' ' ' PRO . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD22 HD21 ' A' ' 130' ' ' LEU . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.9 t60 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.702 ' CE2' HD11 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.926 HG22 HD12 ' A' ' 19' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 30' ' ' VAL . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 73' ' ' THR . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' CB ' HD23 ' A' ' 65' ' ' LEU . 68.5 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 33' ' ' LEU . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.499 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.856 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 78' ' ' LEU . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 34' ' ' GLU . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 63' ' ' THR . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.856 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.832 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.86 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.62 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.86 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 93' ' ' THR . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.821 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.446 ' C ' HD22 ' A' ' 130' ' ' LEU . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.998 ' C ' HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.998 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 120' ' ' VAL . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HG3' HG23 ' A' ' 120' ' ' VAL . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.764 HD21 HD22 ' A' ' 15' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.04 170.3 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 152.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.54 -156.26 7.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.34 170.98 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.041 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.85 168.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.3 -171.67 27.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.52 -62.35 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 65.8 157.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -75.9 -64.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.06 167.61 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.29 151.69 62.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 16' ' ' HIS . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 15' ' ' LEU . 26.3 t60 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' HD2' HD21 ' A' ' 19' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.8 ' N ' HD13 ' A' ' 28' ' ' LEU . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.737 HG22 ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 36' ' ' VAL . 2.8 t -121.92 87.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.9 p -127.58 112.73 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -95.89 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -171.9 160.8 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.54 136.38 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 170.38 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.12 -144.25 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.31 147.67 15.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.6 p -166.46 154.87 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HB3' HD12 ' A' ' 65' ' ' LEU . 6.5 m-20 -91.15 96.0 10.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.854 ' HB3' HD13 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.565 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.859 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 HD21 ' A' ' 78' ' ' LEU . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 34' ' ' GLU . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.737 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 63' ' ' THR . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.859 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 115' ' ' LEU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.732 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD11 HD21 ' A' ' 94' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 92' ' ' LEU . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t -56.54 105.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 170.71 15.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -40.18 -65.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.16 24.44 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 m 60.93 57.34 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 0.1 OUTLIER -65.47 86.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER 160.33 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' HIS . 2.0 t 84.84 -65.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.17 138.47 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 95' ' ' THR . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.671 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 112' ' ' ARG . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 82' ' ' LEU . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.431 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.847 HG21 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 96' ' ' LEU . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.14 58.83 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.5 p -38.65 -38.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.03 85.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.4 174.91 18.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.73 -57.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.36 156.71 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m 56.27 171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 62.37 150.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.62 -68.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m 63.57 173.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 66.01 148.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -144.58 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.68 -54.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 m95 61.47 162.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 52.75 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.67 126.7 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.36 152.88 46.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.766 ' HB2' HG13 ' A' ' 30' ' ' VAL . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.622 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.728 ' N ' HD13 ' A' ' 28' ' ' LEU . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.602 HG22 ' HA3' ' A' ' 77' ' ' GLY . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.0 t -119.24 79.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' SER . 58.9 p -124.53 130.94 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' THR . 13.3 m -38.85 153.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -50.58 -55.75 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 73.92 157.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.03 -34.06 57.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.6 103.43 1.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.92 97.95 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.08 -172.7 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.752 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -89.87 115.75 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HB3' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.672 HG23 HD21 ' A' ' 78' ' ' LEU . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.725 HG22 ' CG ' ' A' ' 34' ' ' GLU . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.602 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 87' ' ' LEU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.792 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.411 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.878 ' N ' HD22 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.925 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 108' ' ' ALA . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.54 105.88 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.89 167.5 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.435 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mtt180 -45.74 -63.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 18.4 m-85 -116.17 -40.75 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 105' ' ' HIS . 0.3 OUTLIER 64.36 44.05 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.23 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 171.79 177.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -75.55 -170.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.925 HG21 HG22 ' A' ' 95' ' ' THR . 4.8 m -74.16 164.17 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.626 ' O ' HD23 ' A' ' 113' ' ' LEU . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 112' ' ' ARG . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.73 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.01 57.13 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.1 p -38.18 -45.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.4 t 43.32 81.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.08 -139.29 7.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 133.68 16.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.2 p -168.61 169.59 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.3 t -56.37 110.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.14 175.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.47 -63.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.89 -173.38 4.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.94 170.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p 178.19 168.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -178.29 30.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 9' ' ' TRP . 1.3 t -178.21 158.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 80.36 64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 177.93 163.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -46.15 162.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.59 154.33 38.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 94' ' ' LEU . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.2 t60 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.697 ' OH ' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.946 ' N ' HD13 ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 94' ' ' LEU . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 16' ' ' HIS . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.826 ' HG ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.822 ' HG2' HG22 ' A' ' 73' ' ' THR . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.4 t -134.8 72.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -160.59 123.88 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.9 t -169.75 95.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -126.29 160.81 29.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.08 159.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 72.14 154.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.08 -152.52 5.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.08 5.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 72.89 179.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.557 ' CB ' HD23 ' A' ' 65' ' ' LEU . 1.4 m-20 -59.93 127.9 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG21 ' HG ' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 93' ' ' THR . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.534 HG23 ' OE1' ' A' ' 86' ' ' GLU . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.822 HG22 ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 63' ' ' THR . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD12 ' HB ' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 86' ' ' GLU . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.605 ' CG ' HD12 ' A' ' 87' ' ' LEU . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.66 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 84' ' ' GLU . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.671 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t -46.98 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.68 138.94 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.4 ttt85 -171.84 -67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' SER . 3.1 m-30 -110.06 -43.68 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER 84.07 36.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.044 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -61.76 -70.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 153.52 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -31.48 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.492 HG11 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t -126.07 130.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' CD ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.653 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 112' ' ' ARG . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 92' ' ' LEU . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HB2' ' HG3' ' A' ' 32' ' ' ARG . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.561 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 13' ' ' PRO . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.3 mmtt -99.51 62.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' LYS . 74.3 p -35.54 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -63.06 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.57 156.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.79 8.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 104.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 -61.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -134.88 -57.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -40.36 159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 -128.65 2.73 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.43 167.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m 66.6 133.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 109.63 0.9 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -174.6 143.64 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.83 161.19 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.68 -60.29 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.15 125.79 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.53 153.21 42.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD21 ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HD13 ' A' ' 33' ' ' LEU . 28.0 t60 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 19' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 46.2 t -149.18 69.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' SER . 9.7 t -150.92 117.32 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' THR . 0.1 OUTLIER 161.04 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HA ' HD11 ' A' ' 70' ' ' LEU . 1.5 m-80 -160.37 -65.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.99 64.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.19 121.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.99 78.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.42 57.61 0.49 Allowed Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 167.81 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.581 ' CB ' HD12 ' A' ' 65' ' ' LEU . 64.9 m-20 -95.62 130.13 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.746 HG23 HD21 ' A' ' 78' ' ' LEU . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ASP . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 34' ' ' GLU . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' HD23 ' A' ' 33' ' ' LEU . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.746 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 87' ' ' LEU . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.824 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.766 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD12 ' H ' ' A' ' 93' ' ' THR . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.669 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.691 HG22 HG11 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t -60.42 128.45 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' ARG . 14.0 p30 -169.27 172.33 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.595 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 5.6 ttm-85 -38.56 -55.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 34.6 m-85 -154.21 98.97 2.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 58.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 102' ' ' PHE . 16.1 ptp180 -99.16 137.42 37.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m170 51.07 22.63 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 m -124.92 124.81 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.691 HG11 HG22 ' A' ' 95' ' ' THR . 8.4 t -140.99 117.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.865 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.865 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.63 HD23 HD12 ' A' ' 111' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.97 56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -39.09 124.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 80.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -111.13 157.3 15.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 p -53.59 -39.54 64.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.38 -173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.92 171.39 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 170.78 7.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.79 -140.29 4.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.39 170.38 22.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 170.47 15.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 165.5 38.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' TRP . 5.3 t -171.87 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' SER . 33.0 p90 44.24 80.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.82 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 62.73 162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 152.55 36.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.617 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 48.4 t60 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' HG13 ' A' ' 30' ' ' VAL . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.683 ' N ' HD13 ' A' ' 28' ' ' LEU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 17' ' ' TYR . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.884 HD22 HG11 ' A' ' 48' ' ' VAL . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' HG22 ' A' ' 73' ' ' THR . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.4 t -113.14 79.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.2 p -110.94 -173.85 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.2 p -152.78 164.6 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 61.96 155.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -171.09 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.23 -47.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.32 -164.67 13.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.81 81.95 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.2 m -142.89 151.73 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' CB ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -81.9 145.12 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.884 HG11 HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.514 HG23 ' OE2' ' A' ' 86' ' ' GLU . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.576 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.577 HG22 ' HG2' ' A' ' 34' ' ' GLU . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.496 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 80' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.787 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.787 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 92' ' ' LEU . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.941 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t -54.54 -102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' SG ' ' A' ' 99' ' ' CYS . 0.5 OUTLIER 69.57 177.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.516 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -52.77 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 43.9 m-85 -139.49 46.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.72 58.01 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 158.3 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 9.1 m80 70.29 172.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -59.78 -176.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.941 HG21 HG22 ' A' ' 95' ' ' THR . 3.0 m -80.72 160.61 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.715 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.83 ' CZ ' HG21 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 112' ' ' ARG . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.721 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.42 ' HB1' ' NE2' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -99.86 60.67 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.7 p -50.91 150.18 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -168.47 89.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -168.94 176.44 43.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.9 p -127.72 175.39 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.9 t -137.02 148.76 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.5 -59.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.21 -60.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 -169.45 14.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -169.82 166.56 9.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -154.39 170.47 21.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.49 -159.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.4 t -125.12 -74.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -166.21 136.78 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 168.07 107.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.59 120.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.87 151.66 58.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 57.7 t60 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 78' ' ' LEU . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t -120.5 82.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.5 p -119.49 -53.08 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t 74.21 171.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.82 113.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.32 89.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.02 -167.91 29.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE ' ' A' ' 68' ' ' ARG . . . 158.68 -67.52 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 179.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 -78.37 137.35 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' CH2' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.643 HG23 HD13 ' A' ' 80' ' ' LEU . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.743 HG23 ' OE1' ' A' ' 86' ' ' GLU . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.936 HG23 HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' NE ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 70' ' ' LEU . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.561 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 63' ' ' THR . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.643 HD13 HG23 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.916 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.916 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.654 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.756 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t -41.25 144.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.11 142.1 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 1.9 tpt85 -158.49 -47.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 30.2 m-85 -150.18 28.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 m 51.84 68.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.97 43.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -86.89 155.1 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.88 179.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 HG22 ' A' ' 95' ' ' THR . 5.1 m -95.13 164.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.609 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.729 HD21 ' C ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.699 ' O ' HD23 ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 112' ' ' ARG . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.66 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 119' ' ' SER . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.708 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.708 ' OE1' HG12 ' A' ' 120' ' ' VAL . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.729 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' THR . 2.4 mttt -97.05 57.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 108' ' ' ALA . 62.8 p -36.13 -43.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.82 -179.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.777 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.1 m -159.66 115.77 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -155.37 161.21 41.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -168.5 174.15 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 150.96 9.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -163.19 143.72 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -122.55 -72.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.89 -143.02 25.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t 69.1 113.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -161.61 154.03 19.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 108.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.45 -68.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 161.27 18.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.67 153.79 56.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.655 ' OH ' HD21 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG11 HD21 ' A' ' 94' ' ' LEU . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 48' ' ' VAL . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 36' ' ' VAL . 49.1 t -126.79 70.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -102.63 -175.26 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.1 p -151.54 96.24 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -177.56 145.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.4 96.33 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -159.63 99.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.93 -169.59 14.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 71.15 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -124.63 161.77 25.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' HD12 ' A' ' 65' ' ' LEU . 5.0 m-20 -103.02 125.74 49.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.842 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.644 HG23 ' CZ2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 92' ' ' LEU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' OE1' ' A' ' 86' ' ' GLU . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.786 HG23 HD21 ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.842 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.644 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.618 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.894 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.894 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 93' ' ' THR . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 92' ' ' LEU . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 30' ' ' VAL . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.5 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t -41.52 152.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -42.56 124.92 3.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.22 -69.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 104' ' ' ARG . 43.8 m-85 -137.59 14.28 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.18 53.12 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -153.33 -45.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -48.83 149.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -120.4 -159.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.92 121.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.65 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD21 ' OH ' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 111' ' ' LEU . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -95.82 60.5 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' LYS . 66.6 p -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 m 40.13 78.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.72 177.93 46.9 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.51 160.64 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.47 152.53 50.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -51.31 150.11 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.4 m -159.38 -60.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 -65.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 70.15 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -51.26 143.91 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.05 79.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -164.96 166.03 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -143.22 -64.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.029 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.18 137.54 11.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 64.63 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.76 154.65 48.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HG3' ' CG2' ' A' ' 132' ' ' THR . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.917 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.821 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 48' ' ' VAL . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 73' ' ' THR . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 22.7 t -129.97 89.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.8 p -112.01 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.23 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 45.6 t30 -133.18 140.69 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 39' ' ' ASN . 4.3 m-70 -167.44 75.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.34 149.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.8 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.1 -34.37 4.14 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 m -58.51 179.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HD12 ' A' ' 65' ' ' LEU . 54.7 m-20 -91.98 134.58 34.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.853 ' HB3' HD13 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 33' ' ' LEU . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.823 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.518 HG21 ' CD1' ' A' ' 33' ' ' LEU . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.823 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 87' ' ' LEU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.777 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.777 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.65 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 111' ' ' LEU . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.87 ' CD1' HD11 ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.942 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.769 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' ASP . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t -53.61 93.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -144.24 161.98 37.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -51.53 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.13 -36.9 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 68.33 53.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -40.95 161.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 68.58 155.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -52.64 168.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.942 HG21 HG22 ' A' ' 95' ' ' THR . 4.7 m -50.68 168.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.82 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.666 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.743 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.542 HG21 HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.525 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.82 HD23 HD12 ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' THR . 5.3 mmpt? -93.17 63.66 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 13' ' ' PRO . 71.9 p -38.43 -45.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -71.69 123.82 23.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 135.15 158.79 8.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.39 38.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 t -102.76 110.44 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 132.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -145.37 159.46 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -103.3 -60.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.42 -164.41 26.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 162.73 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -95.95 -59.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.49 -79.92 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.4 p 60.61 170.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.984 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -156.82 -70.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.58 -75.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -64.84 167.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.53 151.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' ND1' ' CD1' ' A' ' 127' ' ' TRP . 21.9 t60 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' A' ' 115' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 94' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 HG11 ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.712 ' HG2' HG22 ' A' ' 73' ' ' THR . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 52.2 t -129.54 68.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.8 p -67.15 -52.01 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER 61.51 126.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 46.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -167.71 92.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.57 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.52 97.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.94 -76.48 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.94 -44.31 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.7 p -48.94 171.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.701 ' HB3' HD12 ' A' ' 65' ' ' LEU . 15.5 m-20 -82.02 109.86 16.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.846 ' HB3' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.834 HG11 HD22 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.828 HG11 ' HG2' ' A' ' 81' ' ' PRO . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 HD21 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.712 HG22 ' HG2' ' A' ' 34' ' ' GLU . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CH2' HG23 ' A' ' 48' ' ' VAL . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD21 HG23 ' A' ' 63' ' ' THR . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.603 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.828 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.808 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.691 ' HG2' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 93' ' ' THR . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 30' ' ' VAL . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.796 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t -45.53 118.18 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -162.02 167.63 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.54 ' CB ' ' CD1' ' A' ' 102' ' ' PHE . 6.3 mtt180 -38.21 -56.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CD1' ' CB ' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -159.94 98.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.438 ' O ' ' NE ' ' A' ' 97' ' ' ARG . 78.3 p -68.91 57.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 1.1 ptt85 -119.75 56.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -174.81 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.62 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.3 m -119.76 158.55 26.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t -146.68 134.03 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.852 ' HA3' HD13 ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 120' ' ' VAL . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 28' ' ' LEU . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.839 HG12 ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.839 ' OE1' HG12 ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.559 ' CD1' ' ND1' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.625 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.852 HD13 ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -93.2 10.24 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.9 p 43.67 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -171.12 109.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.93 -148.49 19.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -177.92 3.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 110.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.2 p -161.32 160.97 30.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 156.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m 65.63 162.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -153.43 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.39 137.69 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -178.61 170.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 -176.72 44.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.14 158.72 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.455 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -156.41 -63.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.55 171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -39.28 157.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' A' ' 129' ' ' GLU . . . -90.21 153.54 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 33' ' ' LEU . 28.1 t60 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' LEU . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HA3' ' A' ' 77' ' ' GLY . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' HG2' HG22 ' A' ' 73' ' ' THR . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 36' ' ' VAL . 18.9 t -118.11 77.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.7 p -120.12 97.38 5.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -41.03 -60.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 173.33 164.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.33 -64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -176.12 97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.41 -104.87 0.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -29.83 7.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.0 m -89.13 -178.81 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.794 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.58 136.44 36.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.646 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.952 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.865 HG23 HD21 ' A' ' 78' ' ' LEU . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD12 ' CB ' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.531 HG22 ' HG2' ' A' ' 34' ' ' GLU . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.865 HD21 HG23 ' A' ' 63' ' ' THR . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.952 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.843 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.803 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.664 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 113' ' ' LEU . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 111' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.51 112.46 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.37 159.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.3 ttm180 -39.01 -50.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 101' ' ' ARG . 1.1 m-85 -123.97 -54.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER 163.51 61.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.12 54.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.75 140.8 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 -74.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.82 139.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.465 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.789 HD12 HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 112' ' ' ARG . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD22 ' HG ' ' A' ' 28' ' ' LEU . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.46 ' CH2' HG23 ' A' ' 36' ' ' VAL . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.789 HD23 HD12 ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' THR . 6.6 mmpt? -94.86 58.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 54.3 p -37.62 -47.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.4 p -156.14 80.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.89 -147.17 14.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.31 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.19 170.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.9 t -116.92 151.82 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.85 126.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.86 -64.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.82 -177.26 20.33 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -162.06 170.05 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -155.99 130.78 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.64 -176.29 14.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 175.95 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.43 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 5.3 t90 -168.85 123.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER 166.77 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -43.13 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.27 155.4 76.4 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 32' ' ' ARG . 56.0 t60 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 113' ' ' LEU . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CE2' HD11 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' N ' HD13 ' A' ' 28' ' ' LEU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 19' ' ' LEU . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.595 ' HB3' ' CD2' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 48' ' ' VAL . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 73' ' ' THR . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.6 t -122.01 75.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.6 p -91.56 96.34 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -47.68 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.48 133.07 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.612 ' CD2' ' NH2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER 177.93 124.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.639 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.49 135.41 31.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.29 170.87 23.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.63 -168.27 36.77 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.9 138.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 -71.47 166.05 22.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 33' ' ' LEU . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.767 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.77 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 HD21 ' A' ' 78' ' ' LEU . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' NH2' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 34' ' ' GLU . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 50' ' ' GLY . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 50' ' ' GLY . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.801 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.801 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.883 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.633 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.019 HD11 HD13 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.73 ' N ' HD13 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.019 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.08 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.771 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t -42.96 155.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.64 107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -127.68 -58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -133.78 -44.07 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t 72.17 45.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' HIS . 5.9 mtt-85 -84.32 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ARG . 17.4 m-70 51.91 176.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 m 69.58 179.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.08 HG21 HG22 ' A' ' 95' ' ' THR . 4.0 m -136.48 167.92 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD11 HD22 ' A' ' 94' ' ' LEU . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 13' ' ' PRO . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 133' ' ' SER . 6.3 mmpt? -93.36 57.46 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.6 p -38.68 97.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -176.63 133.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -160.75 157.68 29.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.46 4.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.438 1.757 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 144.46 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.8 p -171.54 156.9 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.24 164.71 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.77 169.31 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -169.03 21.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -172.79 158.91 4.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.12 161.27 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 148.25 8.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -175.11 167.11 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' TRP . 1.2 p-90 -171.71 107.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -171.25 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.23 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.51 166.31 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.05 158.31 32.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 7.5 t60 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.644 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 HD21 ' A' ' 94' ' ' LEU . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.582 HD11 HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 36' ' ' VAL . 28.3 t -142.64 62.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -72.62 -56.8 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p 55.14 71.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -156.56 168.64 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -77.88 148.49 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.81 172.32 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.62 75.22 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.18 -118.9 1.76 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.45 147.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.635 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -93.05 132.24 37.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 HD11 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' OE1' ' A' ' 86' ' ' GLU . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.835 HG23 HD21 ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.835 HD21 HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.674 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.858 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.649 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.754 ' N ' HD22 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 30' ' ' VAL . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.92 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.781 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.586 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 108' ' ' ALA . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t -74.81 89.83 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.33 163.17 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 101' ' ' ARG . 23.8 ttm105 -55.46 -65.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.7 -37.57 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER 47.9 42.28 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -51.16 161.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 107' ' ' VAL . 38.3 t -62.81 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.92 HG21 HG22 ' A' ' 95' ' ' THR . 4.6 m -71.0 163.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.66 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 112' ' ' ARG . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 1.003 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.587 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -95.0 51.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 132' ' ' THR . 82.1 p -38.47 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.6 p -91.47 126.19 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.18 156.63 22.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 t 63.28 92.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.2 m -42.63 160.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -92.2 171.13 9.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -57.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 169.16 52.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.59 161.96 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -175.2 161.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.19 -147.77 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m 65.45 123.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -176.04 161.68 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 108.024 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.28 -63.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -94.83 176.58 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.54 154.15 71.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HB3' HD23 ' A' ' 111' ' ' LEU . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 51.9 t60 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 113' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' O ' ' HD2' ' A' ' 16' ' ' HIS . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.701 ' HG2' HG22 ' A' ' 73' ' ' THR . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 36' ' ' VAL . 38.0 t -121.28 80.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 38' ' ' SER . 30.3 p -107.19 -64.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.3 m 79.87 93.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -178.36 156.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -142.35 59.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.98 -52.39 2.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.62 -60.56 8.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.54 -51.14 2.36 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.2 m -50.16 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.2 m-20 -82.05 140.48 33.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.688 HG23 ' OE1' ' A' ' 86' ' ' GLU . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.851 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.617 HG23 HD21 ' A' ' 78' ' ' LEU . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' HG2' ' A' ' 34' ' ' GLU . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' HG23 ' A' ' 48' ' ' VAL . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD21 HG23 ' A' ' 63' ' ' THR . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.851 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.854 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.688 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.781 ' O ' HG22 ' A' ' 52' ' ' VAL . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.461 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.614 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.797 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.738 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.611 HG23 ' HB2' ' A' ' 108' ' ' ALA . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t -48.45 100.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -73.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 177.48 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -124.56 -42.04 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 p 52.72 41.56 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -97.41 130.51 44.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 24.4 m170 62.71 138.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.643 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 m 63.82 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 95' ' ' THR . 6.8 m -132.28 167.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.667 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.656 ' O ' HD23 ' A' ' 113' ' ' LEU . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 92' ' ' LEU . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 92' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.419 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 13' ' ' PRO . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 13.3 mmtt -71.66 -27.84 63.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.602 HG21 ' CG ' ' A' ' 13' ' ' PRO . 4.0 p 38.3 -146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 m -170.87 -179.79 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -41.73 150.89 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.72 85.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.935 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 t -169.22 78.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.51 155.01 27.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 170.05 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -166.24 -61.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.3 p -39.41 148.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.08 161.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.71 -121.73 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.16 113.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.41 144.93 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 61.3 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 57.48 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.92 155.0 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' HD13 ' A' ' 33' ' ' LEU . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' HG ' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 HD21 ' A' ' 94' ' ' LEU . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.818 ' CG ' HG22 ' A' ' 73' ' ' THR . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' VAL . 26.8 t -147.44 76.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.9 p -102.98 175.63 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.1 t -134.9 101.23 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -161.87 153.1 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 47.4 t-80 -145.45 166.87 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 4.9 t0 55.45 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.43 88.5 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.37 107.18 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.0 m -132.04 135.23 46.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.75 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -75.38 111.41 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.575 ' O ' HD13 ' A' ' 65' ' ' LEU . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 92' ' ' LEU . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.813 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.799 HG23 ' OE1' ' A' ' 86' ' ' GLU . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 HD21 ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.75 HD12 ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.76 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.799 ' OE1' HG23 ' A' ' 56' ' ' THR . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.501 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.615 HD11 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.896 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 108' ' ' ALA . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t -95.53 27.59 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.379 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 7.4 mtt-85 -65.27 -60.39 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 10.9 m-85 -111.9 -44.36 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' HIS . 1.5 m 76.21 50.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 105' ' ' HIS . 2.5 mtt180 -63.31 77.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 168.51 146.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.604 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 m -45.19 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.896 HG21 HG22 ' A' ' 95' ' ' THR . 2.9 m -133.38 171.0 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LEU . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.743 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.899 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.899 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.524 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.643 ' N ' HD21 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 13' ' ' PRO . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -91.1 17.05 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.2 p 40.31 -142.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 t -52.55 128.46 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.94 172.51 22.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -74.97 61.67 5.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' PRO . 0.5 OUTLIER 162.83 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.12 138.97 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -168.94 155.0 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -177.4 155.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 176.05 47.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -177.8 163.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -178.31 163.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.23 160.41 30.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p -178.71 160.16 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -172.86 110.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.8 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 64.24 149.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 140.99 22.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 130' ' ' LEU . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 127' ' ' TRP . 70.3 t60 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 30' ' ' VAL . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.985 HG12 HD21 ' A' ' 33' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.741 HG22 ' HA3' ' A' ' 77' ' ' GLY . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 16' ' ' HIS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.985 HD21 HG12 ' A' ' 30' ' ' VAL . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.5 t -119.5 74.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -165.08 151.0 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 p -130.55 138.66 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.29 127.42 55.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -96.78 -62.29 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.22 106.88 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.77 93.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.85 148.27 16.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.4 m -156.55 -174.55 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.745 ' HB3' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 -57.18 136.57 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.848 HG11 HD22 ' A' ' 33' ' ' LEU . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.972 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 92' ' ' LEU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 86' ' ' GLU . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.741 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.84 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.721 HG22 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.972 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.727 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 87' ' ' LEU . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.733 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD21 ' A' ' 82' ' ' LEU . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 51' ' ' SER . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 92' ' ' LEU . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 30' ' ' VAL . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.843 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t -55.37 -103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.5 ' CG ' ' CD2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER 58.04 171.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.23 36.05 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD2' ' CG ' ' A' ' 100' ' ' ASP . 17.8 m-85 -116.04 -44.38 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t 53.4 36.68 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -106.5 158.64 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 65.27 143.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 136' ' ' SER . 15.3 m -51.35 -177.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.843 HG21 HG22 ' A' ' 95' ' ' THR . 10.2 m -55.13 168.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.779 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.686 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 112' ' ' ARG . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.842 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.765 HG23 ' H ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.765 ' H ' HG23 ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 113' ' ' LEU . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.699 ' CH2' HG23 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' HG1' ' A' ' 132' ' ' THR . 11.3 mmpt? -66.92 -33.34 75.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 13' ' ' PRO . 31.4 p 43.18 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.7 m 39.03 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.57 166.6 33.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 145.98 32.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.427 ' N ' ' OG ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -46.51 143.82 2.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -47.63 113.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -170.96 152.65 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 151.77 23.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -158.66 168.1 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 168.53 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 -161.83 10.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.88 170.32 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -120.24 142.98 48.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.97 178.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.93 165.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.17 154.95 47.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.694 ' N ' HD13 ' A' ' 15' ' ' LEU . 73.7 t60 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 113' ' ' LEU . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' N ' HD13 ' A' ' 28' ' ' LEU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 HD22 ' A' ' 19' ' ' LEU . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 36' ' ' VAL . 5.0 t -138.73 74.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -159.52 157.35 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -121.87 129.24 52.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.13 148.17 25.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.7 m80 59.89 162.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -156.45 138.97 14.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.71 -51.93 0.83 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.53 86.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.43 141.42 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -95.93 103.74 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.82 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 33' ' ' LEU . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.637 HG23 ' OE1' ' A' ' 86' ' ' GLU . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.844 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.795 HG23 HD21 ' A' ' 78' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.795 HD21 HG23 ' A' ' 63' ' ' THR . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.685 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.844 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 87' ' ' LEU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.679 ' HG2' HD12 ' A' ' 87' ' ' LEU . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.779 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.851 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t -76.83 144.15 39.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -178.78 162.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -40.59 -63.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -108.27 -45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t 76.46 45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -61.34 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.09 -174.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.8 p -111.1 -158.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.987 HG12 ' H ' ' A' ' 109' ' ' GLY . 61.2 t -63.28 146.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.987 ' H ' HG12 ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.851 ' HG3' HG22 ' A' ' 95' ' ' THR . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.409 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.646 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CD1' ' ND1' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.528 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 111' ' ' LEU . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt -93.72 67.88 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 63.4 p -37.84 99.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.56 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.09 -155.81 4.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 76.7 p -167.73 69.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.3 t -126.12 -55.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.99 165.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -175.19 170.81 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 -178.36 27.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -175.01 163.32 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -175.36 163.64 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.53 166.52 32.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 144.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -177.04 160.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.13 -55.86 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 171.38 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.84 152.14 45.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD21 ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 34.3 t60 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 30' ' ' VAL . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 28' ' ' LEU . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 19' ' ' LEU . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.57 HG22 ' HA3' ' A' ' 77' ' ' GLY . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.919 ' CD1' HG21 ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.8 t -131.97 81.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.2 p -122.98 144.74 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -114.72 166.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.04 106.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 40' ' ' HIS . 2.1 p-80 -152.59 126.94 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -80.35 121.71 26.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.8 -135.41 38.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.06 116.59 2.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.88 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.704 ' HB3' HD12 ' A' ' 65' ' ' LEU . 1.7 m-20 -111.6 110.67 21.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 65' ' ' LEU . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HD1' HD11 ' A' ' 65' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.576 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' O ' HD13 ' A' ' 78' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.0 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.919 HG21 ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.57 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 61' ' ' ALA . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.796 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 87' ' ' LEU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.668 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.685 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.697 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.041 HD11 HD13 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.698 ' N ' HD22 ' A' ' 92' ' ' LEU . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.041 HD13 HD11 ' A' ' 92' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.796 HG22 HG11 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 107' ' ' VAL . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.07 96.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.07 175.51 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -53.14 11.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.93 -40.43 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m 68.62 43.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -79.59 -176.7 5.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.02 179.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -66.82 -179.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.796 HG11 HG22 ' A' ' 95' ' ' THR . 12.4 m -78.41 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HG22 ' A' ' 132' ' ' THR . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.535 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.751 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.969 ' C ' HD22 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.969 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.751 HD23 HD12 ' A' ' 111' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -94.89 61.11 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 108' ' ' ALA . 69.2 p -37.73 137.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m 70.48 136.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.12 175.17 14.22 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 137.94 22.29 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -79.89 -58.64 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 t -124.85 162.96 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -141.9 157.4 45.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 66.06 168.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.54 -148.45 4.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.0 167.56 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 0.732 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.27 171.3 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.06 -90.25 0.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t 65.24 127.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -156.19 143.55 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -42.13 159.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 43.5 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 157.17 62.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 16' ' ' HIS . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 15' ' ' LEU . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.666 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 28' ' ' LEU . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' HA3' ' A' ' 77' ' ' GLY . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.906 HD22 HG11 ' A' ' 48' ' ' VAL . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' CG ' HG22 ' A' ' 73' ' ' THR . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t -141.55 79.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 p -106.22 140.27 39.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.9 p -109.78 -45.98 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -40.47 112.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 157.49 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.645 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -160.86 165.47 30.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.75 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.32 -113.88 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 m 65.13 -179.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' HD12 ' A' ' 65' ' ' LEU . 14.7 m-20 -104.93 126.2 51.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.789 ' HB3' HD13 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.906 HG11 HD22 ' A' ' 33' ' ' LEU . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.649 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' CD ' ' A' ' 86' ' ' GLU . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.928 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.683 HG23 HD21 ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 34' ' ' GLU . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CH2' HG23 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 63' ' ' THR . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.928 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.841 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.828 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.828 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.948 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.064 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t -49.25 116.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -160.46 161.92 33.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.586 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 11.5 ttm180 -42.15 -55.09 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 46.7 m-85 -154.62 99.47 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 59.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.5 mtp180 -42.89 -55.7 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -56.42 178.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.6 m -70.87 -174.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.064 HG21 HG22 ' A' ' 95' ' ' THR . 4.3 m -80.43 159.04 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.603 ' CA ' HG22 ' A' ' 132' ' ' THR . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.484 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.666 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.803 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.948 HD11 ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 13' ' ' PRO . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.72 70.87 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 109' ' ' GLY . 7.3 p -76.32 108.86 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 t -69.83 -60.2 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 171.16 156.73 11.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 56.1 4.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.802 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.63 104.0 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.0 t -40.57 154.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -161.12 168.67 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -142.2 -63.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.02 175.63 20.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.87 154.68 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -170.55 167.14 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.01 175.02 46.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 t -170.29 160.25 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -170.04 167.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 107.974 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -54.84 169.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.74 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.68 150.7 68.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 29.4 t60 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.642 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 19' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' HA3' ' A' ' 77' ' ' GLY . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 30' ' ' VAL . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 17.2 t -115.6 72.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -88.6 -167.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.8 p -156.9 87.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -154.6 158.65 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -48.99 121.01 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.08 167.49 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.9 111.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.62 109.14 1.71 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 65.63 142.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.582 ' HB2' HD12 ' A' ' 65' ' ' LEU . 3.7 m-20 -90.03 140.32 29.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.781 ' HB3' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.547 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.539 ' O ' HD22 ' A' ' 92' ' ' LEU . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.673 HG23 ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.739 HG23 HG12 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.593 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.783 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.898 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.412 ' CA ' HD21 ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.699 HG21 ' CA ' ' A' ' 138' ' ' GLY . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.989 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.87 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t -42.37 141.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -55.49 136.01 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.7 ttt180 -135.75 -57.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 24.2 m-85 -143.65 27.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.9 m 58.73 63.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.92 123.67 30.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -67.29 169.04 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m 63.07 -179.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 95' ' ' THR . 13.3 m -116.54 173.9 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 107' ' ' VAL . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 112' ' ' ARG . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.596 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.576 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 13' ' ' PRO . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.3 mmpt? -94.34 58.58 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' LYS . 67.6 p -37.38 -65.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 90.15 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.98 169.36 41.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 57.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -130.59 111.22 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.5 115.32 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.699 ' CA ' HG21 ' A' ' 93' ' ' THR . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -176.56 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.12 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.91 46.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -142.96 169.59 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.95 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . 89.33 -69.25 2.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER 77.8 -61.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.93 159.72 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -114.68 92.33 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.96 149.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.57 152.78 53.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD22 HD21 ' A' ' 130' ' ' LEU . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.9 t60 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.702 ' CE2' HD11 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.926 HG22 HD12 ' A' ' 19' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 30' ' ' VAL . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 73' ' ' THR . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t -136.1 68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 p -110.19 128.46 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 p -102.28 153.52 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 54.82 174.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.8 m170 64.16 175.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.544 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.98 115.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.43 -115.67 2.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.43 81.75 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m -146.89 153.27 39.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' CB ' HD23 ' A' ' 65' ' ' LEU . 68.5 m-20 -77.55 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 33' ' ' LEU . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.499 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.856 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 78' ' ' LEU . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 34' ' ' GLU . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 63' ' ' THR . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.856 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.832 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.86 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.62 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.86 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 93' ' ' THR . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.821 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t -52.89 102.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.25 -176.85 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -52.45 -56.47 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -117.01 -36.46 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.4 m 65.32 52.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -69.29 171.71 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -40.73 112.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.33 -62.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t 64.23 124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.446 ' C ' HD22 ' A' ' 130' ' ' LEU . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.998 ' C ' HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.998 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 120' ' ' VAL . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HG3' HG23 ' A' ' 120' ' ' VAL . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.764 HD21 HD22 ' A' ' 15' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.6 mmpt? -99.31 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 108' ' ' ALA . 80.8 p -37.79 149.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 p 55.92 -177.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.51 -175.31 18.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.4 p -62.6 -57.52 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t 63.49 121.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 16' ' ' HIS . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 15' ' ' LEU . 6.2 t-80 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' HD2' HD21 ' A' ' 19' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.8 ' N ' HD13 ' A' ' 28' ' ' LEU . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.737 HG22 ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 36' ' ' VAL . 2.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HB3' HD12 ' A' ' 65' ' ' LEU . 6.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.854 ' HB3' HD13 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.565 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.859 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 HD21 ' A' ' 78' ' ' LEU . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 34' ' ' GLU . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.737 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 63' ' ' THR . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.859 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 115' ' ' LEU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.732 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.799 HD11 HD21 ' A' ' 94' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 92' ' ' LEU . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 95' ' ' THR . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.671 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 112' ' ' ARG . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 82' ' ' LEU . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.431 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.847 HG21 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 96' ' ' LEU . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.766 ' HB2' HG13 ' A' ' 30' ' ' VAL . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.622 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.728 ' N ' HD13 ' A' ' 28' ' ' LEU . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.602 HG22 ' HA3' ' A' ' 77' ' ' GLY . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.752 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HB3' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.672 HG23 HD21 ' A' ' 78' ' ' LEU . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.725 HG22 ' CG ' ' A' ' 34' ' ' GLU . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.602 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 87' ' ' LEU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.792 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.411 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.878 ' N ' HD22 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.925 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 108' ' ' ALA . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.925 HG21 HG22 ' A' ' 95' ' ' THR . 4.8 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.626 ' O ' HD23 ' A' ' 113' ' ' LEU . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 112' ' ' ARG . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.73 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 94' ' ' LEU . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.0 t-80 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.697 ' OH ' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.946 ' N ' HD13 ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 94' ' ' LEU . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.826 ' HG ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.822 ' HG2' HG22 ' A' ' 73' ' ' THR . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.557 ' CB ' HD23 ' A' ' 65' ' ' LEU . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG21 ' HG ' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 93' ' ' THR . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.534 HG23 ' OE1' ' A' ' 86' ' ' GLU . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.822 HG22 ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 63' ' ' THR . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.511 HD12 ' HB ' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 86' ' ' GLU . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.605 ' CG ' HD12 ' A' ' 87' ' ' LEU . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.66 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 84' ' ' GLU . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.671 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.492 HG11 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.492 ' CD ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.653 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 112' ' ' ARG . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 92' ' ' LEU . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HB2' ' HG3' ' A' ' 32' ' ' ARG . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.561 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 13' ' ' PRO . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD21 ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.2 t-80 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 19' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 46.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.581 ' CB ' HD12 ' A' ' 65' ' ' LEU . 64.9 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.542 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.746 HG23 HD21 ' A' ' 78' ' ' LEU . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ASP . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 34' ' ' GLU . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' HD23 ' A' ' 33' ' ' LEU . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.746 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 87' ' ' LEU . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.824 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.766 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD12 ' H ' ' A' ' 93' ' ' THR . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.669 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.691 HG22 HG11 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.691 HG11 HG22 ' A' ' 95' ' ' THR . 8.4 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.865 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.865 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.63 HD23 HD12 ' A' ' 111' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.617 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 16.2 t-80 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' HG13 ' A' ' 30' ' ' VAL . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.683 ' N ' HD13 ' A' ' 28' ' ' LEU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 17' ' ' TYR . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.884 HD22 HG11 ' A' ' 48' ' ' VAL . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' HG22 ' A' ' 73' ' ' THR . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.4 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' CB ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.884 HG11 HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.514 HG23 ' OE2' ' A' ' 86' ' ' GLU . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.473 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.576 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.577 HG22 ' HG2' ' A' ' 34' ' ' GLU . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.496 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 80' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.787 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.787 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 92' ' ' LEU . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.941 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.941 HG21 HG22 ' A' ' 95' ' ' THR . 3.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.715 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.83 ' CZ ' HG21 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 112' ' ' ARG . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.721 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 17.3 t-80 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 78' ' ' LEU . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' CH2' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.643 HG23 HD13 ' A' ' 80' ' ' LEU . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.743 HG23 ' OE1' ' A' ' 86' ' ' GLU . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.936 HG23 HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 70' ' ' LEU . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.561 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 63' ' ' THR . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.643 HD13 HG23 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.916 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.916 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.654 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.756 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 HG22 ' A' ' 95' ' ' THR . 5.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.609 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.729 HD21 ' C ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.699 ' O ' HD23 ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 112' ' ' ARG . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.66 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 119' ' ' SER . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.708 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.708 ' OE1' HG12 ' A' ' 120' ' ' VAL . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.729 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.655 ' OH ' HD21 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG11 HD21 ' A' ' 94' ' ' LEU . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 48' ' ' VAL . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 36' ' ' VAL . 49.1 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' HD12 ' A' ' 65' ' ' LEU . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.842 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.644 HG23 ' CZ2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 92' ' ' LEU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' OE1' ' A' ' 86' ' ' GLU . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.786 HG23 HD21 ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.842 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.644 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.618 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.894 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.894 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 93' ' ' THR . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 92' ' ' LEU . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 30' ' ' VAL . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.5 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.65 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD21 ' OH ' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.401 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 111' ' ' LEU . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.917 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.821 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 48' ' ' VAL . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 73' ' ' THR . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 22.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HD12 ' A' ' 65' ' ' LEU . 54.7 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.853 ' HB3' HD13 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 33' ' ' LEU . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.823 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.518 HG21 ' CD1' ' A' ' 33' ' ' LEU . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.823 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 87' ' ' LEU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.777 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.777 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.65 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 111' ' ' LEU . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.87 ' CD1' HD11 ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.942 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.769 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.942 HG21 HG22 ' A' ' 95' ' ' THR . 4.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.82 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.666 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.743 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.542 HG21 HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.525 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.82 HD23 HD12 ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.5 t-80 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' A' ' 115' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 94' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 HG11 ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.712 ' HG2' HG22 ' A' ' 73' ' ' THR . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 52.2 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.701 ' HB3' HD12 ' A' ' 65' ' ' LEU . 15.5 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.846 ' HB3' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.834 HG11 HD22 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.828 HG11 ' HG2' ' A' ' 81' ' ' PRO . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 HD21 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.712 HG22 ' HG2' ' A' ' 34' ' ' GLU . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CH2' HG23 ' A' ' 48' ' ' VAL . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD21 HG23 ' A' ' 63' ' ' THR . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.603 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.828 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.808 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.691 ' HG2' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 93' ' ' THR . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 30' ' ' VAL . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.796 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.852 ' HA3' HD13 ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 120' ' ' VAL . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 28' ' ' LEU . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.839 HG12 ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.839 ' OE1' HG12 ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.758 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.625 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.852 HD13 ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' A' ' 129' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.1 t-80 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' LEU . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HA3' ' A' ' 77' ' ' GLY . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' HG2' HG22 ' A' ' 73' ' ' THR . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 36' ' ' VAL . 18.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.794 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.646 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.952 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.865 HG23 HD21 ' A' ' 78' ' ' LEU . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD12 ' CB ' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.531 HG22 ' HG2' ' A' ' 34' ' ' GLU . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.865 HD21 HG23 ' A' ' 63' ' ' THR . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.952 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.843 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.803 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.664 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 113' ' ' LEU . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 111' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.465 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.789 HD12 HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 112' ' ' ARG . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD22 ' HG ' ' A' ' 28' ' ' LEU . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.484 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.789 HD23 HD12 ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 14.7 t-80 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 113' ' ' LEU . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CE2' HD11 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' N ' HD13 ' A' ' 28' ' ' LEU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 19' ' ' LEU . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 48' ' ' VAL . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 73' ' ' THR . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 33' ' ' LEU . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.767 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.77 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 HD21 ' A' ' 78' ' ' LEU . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 34' ' ' GLU . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 50' ' ' GLY . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 50' ' ' GLY . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.801 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.801 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.883 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.633 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.019 HD11 HD13 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.73 ' N ' HD13 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.019 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.08 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.771 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.08 HG21 HG22 ' A' ' 95' ' ' THR . 4.0 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD11 HD22 ' A' ' 94' ' ' LEU . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 13' ' ' PRO . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 4.1 t-160 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.644 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 HD21 ' A' ' 94' ' ' LEU . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.582 HD11 HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 36' ' ' VAL . 28.3 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.635 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 HD11 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' OE1' ' A' ' 86' ' ' GLU . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.835 HG23 HD21 ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.835 HD21 HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.674 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.858 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.649 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.754 ' N ' HD22 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 30' ' ' VAL . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.92 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.781 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.586 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 108' ' ' ALA . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.92 HG21 HG22 ' A' ' 95' ' ' THR . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.66 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 112' ' ' ARG . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 1.003 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.587 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HB3' HD23 ' A' ' 111' ' ' LEU . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 28.6 t-80 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 113' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.701 ' HG2' HG22 ' A' ' 73' ' ' THR . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 36' ' ' VAL . 38.0 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.688 HG23 ' OE1' ' A' ' 86' ' ' GLU . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.851 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.617 HG23 HD21 ' A' ' 78' ' ' LEU . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' HG2' ' A' ' 34' ' ' GLU . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' HG23 ' A' ' 48' ' ' VAL . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD21 HG23 ' A' ' 63' ' ' THR . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.851 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.854 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.688 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.781 ' O ' HG22 ' A' ' 52' ' ' VAL . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.461 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.614 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.797 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.738 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.611 HG23 ' HB2' ' A' ' 108' ' ' ALA . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 95' ' ' THR . 6.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.667 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.656 ' O ' HD23 ' A' ' 113' ' ' LEU . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 92' ' ' LEU . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 92' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.419 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 13' ' ' PRO . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' HD13 ' A' ' 33' ' ' LEU . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' HG ' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 HD21 ' A' ' 94' ' ' LEU . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.818 ' CG ' HG22 ' A' ' 73' ' ' THR . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' VAL . 26.8 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.75 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.575 ' O ' HD13 ' A' ' 65' ' ' LEU . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 92' ' ' LEU . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.813 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.799 HG23 ' OE1' ' A' ' 86' ' ' GLU . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 HD21 ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.75 HD12 ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.76 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.799 ' OE1' HG23 ' A' ' 56' ' ' THR . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.501 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.615 HD11 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.896 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 108' ' ' ALA . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.896 HG21 HG22 ' A' ' 95' ' ' THR . 2.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LEU . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.743 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.899 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.899 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.524 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.643 ' N ' HD21 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 13' ' ' PRO . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 130' ' ' LEU . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 31.0 t-80 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 30' ' ' VAL . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.985 HG12 HD21 ' A' ' 33' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.741 HG22 ' HA3' ' A' ' 77' ' ' GLY . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.985 HD21 HG12 ' A' ' 30' ' ' VAL . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.745 ' HB3' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.848 HG11 HD22 ' A' ' 33' ' ' LEU . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.972 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 92' ' ' LEU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 86' ' ' GLU . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.741 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.84 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.721 HG22 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.972 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.727 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 87' ' ' LEU . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.733 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD21 ' A' ' 82' ' ' LEU . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 51' ' ' SER . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 92' ' ' LEU . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 30' ' ' VAL . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.843 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.843 HG21 HG22 ' A' ' 95' ' ' THR . 10.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.779 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.686 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 112' ' ' ARG . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.842 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.765 HG23 ' H ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.765 ' H ' HG23 ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 113' ' ' LEU . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.699 ' CH2' HG23 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.785 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 20.4 t-80 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 113' ' ' LEU . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' N ' HD13 ' A' ' 28' ' ' LEU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 HD22 ' A' ' 19' ' ' LEU . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 36' ' ' VAL . 5.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.82 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 33' ' ' LEU . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.637 HG23 ' OE1' ' A' ' 86' ' ' GLU . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.844 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.795 HG23 HD21 ' A' ' 78' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.795 HD21 HG23 ' A' ' 63' ' ' THR . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.685 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.844 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 87' ' ' LEU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.679 ' HG2' HD12 ' A' ' 87' ' ' LEU . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.779 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.851 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.987 HG12 ' H ' ' A' ' 109' ' ' GLY . 61.2 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.987 ' H ' HG12 ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.851 ' HG3' HG22 ' A' ' 95' ' ' THR . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.409 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.646 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.528 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 111' ' ' LEU . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD21 ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.5 t-80 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 30' ' ' VAL . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 28' ' ' LEU . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 19' ' ' LEU . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.57 HG22 ' HA3' ' A' ' 77' ' ' GLY . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.919 ' CD1' HG21 ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.8 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.704 ' HB3' HD12 ' A' ' 65' ' ' LEU . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 65' ' ' LEU . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HD1' HD11 ' A' ' 65' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.576 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' O ' HD13 ' A' ' 78' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 5.4 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.919 HG21 ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.57 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 61' ' ' ALA . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.796 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 87' ' ' LEU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.668 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.685 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.697 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.041 HD11 HD13 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.698 ' N ' HD22 ' A' ' 92' ' ' LEU . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.041 HD13 HD11 ' A' ' 92' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.796 HG22 HG11 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 107' ' ' VAL . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.796 HG11 HG22 ' A' ' 95' ' ' THR . 12.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.535 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.751 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.969 ' C ' HD22 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.969 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.502 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.751 HD23 HD12 ' A' ' 111' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 16' ' ' HIS . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 15' ' ' LEU . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.666 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 28' ' ' LEU . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' HA3' ' A' ' 77' ' ' GLY . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.906 HD22 HG11 ' A' ' 48' ' ' VAL . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.511 ' CG ' HG22 ' A' ' 73' ' ' THR . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' HD12 ' A' ' 65' ' ' LEU . 14.7 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.789 ' HB3' HD13 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.906 HG11 HD22 ' A' ' 33' ' ' LEU . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.649 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' CD ' ' A' ' 86' ' ' GLU . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.928 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.683 HG23 HD21 ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 34' ' ' GLU . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CH2' HG23 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 63' ' ' THR . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.928 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.841 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.828 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.828 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.948 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.064 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.064 HG21 HG22 ' A' ' 95' ' ' THR . 4.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.557 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.484 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.666 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.803 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.948 HD11 ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 13' ' ' PRO . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 5.5 t-80 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.642 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 19' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' HA3' ' A' ' 77' ' ' GLY . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 30' ' ' VAL . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 17.2 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.582 ' HB2' HD12 ' A' ' 65' ' ' LEU . 3.7 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.781 ' HB3' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.547 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.539 ' O ' HD22 ' A' ' 92' ' ' LEU . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.673 HG23 ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.739 HG23 HG12 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.593 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.783 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.898 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.412 ' CA ' HD21 ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.53 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.989 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.87 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 95' ' ' THR . 13.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 107' ' ' VAL . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 112' ' ' ARG . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.596 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.428 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.576 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 13' ' ' PRO . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.764 HD22 HD21 ' A' ' 130' ' ' LEU . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.1 t-80 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.702 ' CE2' HD11 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.667 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.926 HG22 HD12 ' A' ' 19' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 30' ' ' VAL . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 73' ' ' THR . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' CB ' HD23 ' A' ' 65' ' ' LEU . 68.5 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 33' ' ' LEU . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.499 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.856 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.508 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 78' ' ' LEU . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 34' ' ' GLU . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 63' ' ' THR . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.856 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.832 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.86 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.62 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.86 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 93' ' ' THR . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.821 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.446 ' C ' HD22 ' A' ' 130' ' ' LEU . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.998 ' C ' HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.998 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 120' ' ' VAL . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HG3' HG23 ' A' ' 120' ' ' VAL . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.764 HD21 HD22 ' A' ' 15' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.04 170.3 7.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 0.77 . . . . 0.0 109.957 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 152.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.54 -156.26 7.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.34 170.98 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.041 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.85 168.67 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.3 -171.67 27.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.52 -62.35 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 65.8 157.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 108.013 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -75.9 -64.92 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.06 167.61 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.29 151.69 62.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.95 126.44 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 1.6 mtmt -111.81 146.07 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 16' ' ' HIS . 5.0 tp -139.03 123.06 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 15' ' ' LEU . 6.2 t-80 -92.47 141.66 28.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' HD2' HD21 ' A' ' 19' ' ' LEU . 16.7 p90 -159.41 140.75 12.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.67 114.46 25.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.847 HD23 HG21 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -88.99 135.05 33.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -160.6 111.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 87' ' ' LEU . 64.8 t80 -99.36 112.11 24.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.1 t0 -88.72 86.51 7.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.8 p -41.63 -34.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.05 -48.76 80.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.6 mttt -92.54 -4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 44.21 41.24 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -134.54 130.68 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -76.85 145.04 38.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.8 ' N ' HD13 ' A' ' 28' ' ' LEU . 71.4 m-85 -126.81 142.76 51.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 92.6 t -134.35 70.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.737 HG22 ' HA3' ' A' ' 77' ' ' GLY . 46.6 p -84.83 -164.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 52.55 63.27 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.4 mm? -91.0 120.08 31.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 43.3 mt-10 -150.24 91.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.07 136.67 37.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 36' ' ' VAL . 2.8 t -121.92 87.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.9 p -127.58 112.73 15.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -95.89 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -171.9 160.8 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.54 136.38 24.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 170.38 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.12 -144.25 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.31 147.67 15.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.6 p -166.46 154.87 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HB3' HD12 ' A' ' 65' ' ' LEU . 6.5 m-20 -91.15 96.0 10.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.6 p -80.51 151.03 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.854 ' HB3' HD13 ' A' ' 65' ' ' LEU . 49.3 p90 -154.55 158.9 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.8 t -91.3 148.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 16.1 tt0 -142.44 121.6 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.565 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -107.81 124.59 7.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -114.17 132.19 56.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.27 143.85 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.53 114.82 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -114.24 155.69 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -49.18 -23.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.7 p -80.72 -32.21 35.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 169.24 -122.3 1.0 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -159.57 165.35 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.859 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.2 m -139.29 176.91 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 32.5 mt-10 -160.99 132.35 5.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -134.66 166.56 22.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 173.02 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 HD21 ' A' ' 78' ' ' LEU . 34.8 p -110.64 179.52 4.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.42 135.56 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.854 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.0 mm? -47.93 153.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.8 mmtm -138.38 -174.31 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -105.28 107.49 18.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -40.36 118.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.23 -178.53 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.52 -8.1 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -173.06 90.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.645 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 m -88.78 143.94 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.566 HG22 ' HG2' ' A' ' 34' ' ' GLU . 9.2 p -136.88 141.69 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.7 m-90 -107.33 176.88 5.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -111.64 -35.86 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.21 178.77 4.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.737 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.49 174.85 20.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 63' ' ' THR . 11.7 mt -79.82 173.58 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.549 HG22 ' CD1' ' A' ' 29' ' ' PHE . 60.1 t -155.07 97.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -103.5 128.05 28.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.859 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 132.08 15.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 115' ' ' LEU . 22.6 tp -157.72 158.31 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.49 139.45 40.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -54.96 -18.92 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -86.17 -9.19 57.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.732 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.5 mt-10 -117.08 10.21 13.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -61.47 -49.65 86.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.04 -10.84 21.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 23.0 p -118.55 30.96 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -145.51 150.0 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 113' ' ' LEU . 58.2 m -136.58 154.02 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD11 HD21 ' A' ' 94' ' ' LEU . 1.4 tm? -117.39 114.49 23.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.5 m -108.71 117.48 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 92' ' ' LEU . 42.3 mt -86.07 146.48 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -145.46 145.0 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.78 100.01 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -100.29 146.0 27.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.4 p -101.25 126.44 47.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.0 t -56.54 105.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 108.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 170.71 15.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -40.18 -65.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.16 24.44 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 m 60.93 57.34 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' CG ' ' A' ' 105' ' ' HIS . 0.1 OUTLIER -65.47 86.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER 160.33 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' HIS . 2.0 t 84.84 -65.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.17 138.47 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.93 -33.21 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -169.71 121.93 0.96 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 95' ' ' THR . 8.7 tt0 -108.76 143.88 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.671 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.14 144.94 51.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpp85 -108.64 139.09 43.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 112' ' ' ARG . 27.8 mt -143.19 173.19 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.6 147.39 17.89 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 82' ' ' LEU . 23.6 mt -102.64 -34.22 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.431 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 4.1 p30 -42.34 -36.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.48 39.26 1.5 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.43 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 2.2 m -113.2 -84.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 118' ' ' THR . 38.9 m -38.94 -68.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.847 HG21 HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -119.41 133.11 23.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.17 18.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.0 mt -95.14 154.39 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.24 13.6 29.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.32 100.7 6.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.36 124.4 26.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.56 147.41 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 34' ' ' GLU . 61.9 m95 -76.94 168.38 20.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -167.44 137.91 4.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 140.46 35.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 96' ' ' LEU . 57.9 mt -75.87 133.28 40.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.14 58.83 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.5 p -38.65 -38.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.03 85.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 115.4 174.91 18.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.73 -57.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.36 156.71 39.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m 56.27 171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 62.37 150.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.62 -68.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m 63.57 173.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 66.01 148.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.7 -144.58 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.68 -54.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 m95 61.47 162.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 52.75 175.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.67 126.7 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.36 152.88 46.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 118.88 5.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.8 mtmm -106.22 146.7 29.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.0 tp -142.62 115.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 24.2 t-80 -85.25 144.75 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.766 ' HB2' HG13 ' A' ' 30' ' ' VAL . 21.3 p90 -159.9 140.7 12.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.52 109.92 19.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 108.358 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.622 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -84.51 124.79 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -152.17 114.23 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.719 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.9 t80 -98.03 114.64 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 6.7 t0 -92.42 86.43 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 14.0 p -41.82 -37.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -54.24 -47.87 71.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.1 -26.51 22.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 67.61 39.78 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mt-10 -140.73 136.18 32.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -77.64 142.83 38.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.728 ' N ' HD13 ' A' ' 28' ' ' LEU . 66.0 m-85 -124.03 143.41 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.766 HG13 ' HB2' ' A' ' 17' ' ' TYR . 85.2 t -130.99 70.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.602 HG22 ' HA3' ' A' ' 77' ' ' GLY . 32.4 p -79.09 -165.62 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 33.4 mmt180 48.38 60.17 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 48' ' ' VAL . 43.3 mt -91.04 119.41 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -149.1 90.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 136.01 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.0 t -119.24 79.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' SER . 58.9 p -124.53 130.94 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' THR . 13.3 m -38.85 153.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -50.58 -55.75 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 73.92 157.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.03 -34.06 57.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.6 103.43 1.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.92 97.95 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.8 m -135.08 -172.7 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.752 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -89.87 115.75 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HD13 ' A' ' 65' ' ' LEU . 8.6 p -113.96 154.77 27.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HB3' HD22 ' A' ' 65' ' ' LEU . 10.5 p90 -152.48 158.87 43.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 33' ' ' LEU . 23.0 t -92.14 139.62 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' THR . 15.8 tt0 -134.74 123.61 23.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.36 135.79 12.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.472 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 4.5 t -125.87 147.49 49.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.47 152.49 35.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.96 112.14 12.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -109.2 -179.23 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 4.82 15.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 p -113.01 -22.02 10.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' OD1' ' A' ' 54' ' ' ASN . . . 163.89 -131.05 2.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 p -155.45 163.99 39.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.35 170.97 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 53.5 mt-10 -154.62 138.7 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.38 166.96 23.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -163.37 176.46 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.672 HG23 HD21 ' A' ' 78' ' ' LEU . 46.2 p -114.52 179.53 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.98 136.28 43.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' A' ' 45' ' ' ASP . 3.4 mm? -50.61 147.53 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -139.59 156.54 46.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -73.52 118.59 16.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -41.37 129.68 3.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -146.63 164.52 32.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -16.75 62.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.8 t-160 -161.83 78.77 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.2 m -75.1 152.65 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.725 HG22 ' CG ' ' A' ' 34' ' ' GLU . 67.2 p -140.09 154.96 47.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.577 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.4 m-90 -124.51 151.72 44.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.05 34.61 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -164.95 -174.77 3.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.602 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -142.39 165.73 26.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 16.9 mt -77.32 169.64 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.8 t -153.64 110.59 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -115.74 131.14 23.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 87' ' ' LEU . 24.0 tp -151.11 145.46 25.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -92.67 139.32 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.3 tt0 -53.37 -19.77 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -84.97 -17.53 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.792 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 6.6 mt-10 -106.18 11.45 31.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 HD21 ' CD1' ' A' ' 21' ' ' TYR . 13.1 mt -64.99 -51.23 57.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -74.97 -11.3 21.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 p -116.92 32.14 6.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -143.7 163.51 33.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.411 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.5 m -150.45 139.59 21.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -100.92 122.85 44.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.878 ' N ' HD22 ' A' ' 92' ' ' LEU . 3.1 m -116.16 107.89 15.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -80.18 148.12 31.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.925 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -149.59 146.53 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.726 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -123.84 99.21 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -96.56 150.02 21.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 108' ' ' ALA . 19.7 p -100.9 143.52 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 t -85.54 105.88 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.344 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -139.89 167.5 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.435 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mtt180 -45.74 -63.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 18.4 m-85 -116.17 -40.75 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 105' ' ' HIS . 0.3 OUTLIER 64.36 44.05 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.23 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 171.79 177.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -75.55 -170.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.925 HG21 HG22 ' A' ' 95' ' ' THR . 4.8 m -74.16 164.17 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -70.6 -14.28 62.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.16 130.04 1.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -109.81 145.1 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -133.29 145.07 50.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.626 ' O ' HD23 ' A' ' 113' ' ' LEU . 14.4 ttt180 -117.14 142.45 47.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 112' ' ' ARG . 58.4 mt -146.59 171.82 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.73 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -120.19 164.07 13.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.73 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -116.09 -38.44 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 1.4 p-10 -41.82 -39.58 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.07 28.33 2.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' SER . 3.7 m -98.9 -84.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 0.751 . . . . 0.0 110.407 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' THR . 52.2 m -38.95 -71.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.555 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.53 138.57 25.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.95 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.4 mt -96.24 154.92 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.31 20.5 29.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -129.28 100.72 5.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -63.46 132.77 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -126.06 157.54 37.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -109.78 90.6 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 107.982 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.17 152.23 19.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -96.77 147.31 24.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 61.4 mt -73.88 129.09 37.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.01 57.13 4.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.1 p -38.18 -45.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.4 t 43.32 81.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.08 -139.29 7.61 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 133.68 16.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.2 p -168.61 169.59 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.3 t -56.37 110.79 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.14 175.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.47 -63.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.025 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.89 -173.38 4.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.94 170.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p 178.19 168.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.968 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -178.29 30.22 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 9' ' ' TRP . 1.3 t -178.21 158.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 80.36 64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 177.93 163.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -46.15 162.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.59 154.33 38.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.98 120.94 6.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.1 mtmm -109.7 140.04 44.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD23 ' A' ' 94' ' ' LEU . 2.8 tp -137.51 111.52 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.0 t-80 -79.96 139.8 36.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.697 ' OH ' HD21 ' A' ' 113' ' ' LEU . 21.1 p90 -158.81 136.78 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' THR . 7.3 t -111.73 109.08 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.76 120.48 27.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.8 111.52 5.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 87' ' ' LEU . 73.6 t80 -97.64 113.71 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.8 t0 -88.68 86.41 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.68 -35.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.94 -46.97 84.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.0 mttt -95.93 0.1 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.8 38.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.7 mm-40 -132.69 128.82 37.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -71.54 162.87 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.946 ' N ' HD13 ' A' ' 28' ' ' LEU . 81.5 m-85 -146.22 139.32 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 94' ' ' LEU . 39.5 t -128.18 76.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 18.0 p -87.55 -170.7 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 125' ' ' ALA . 5.3 mmt180 60.22 32.4 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.258 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.826 ' HG ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -65.59 101.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.822 ' HG2' HG22 ' A' ' 73' ' ' THR . 3.1 mt-10 -138.86 86.65 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 149.08 49.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.4 t -134.8 72.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -160.59 123.88 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.9 t -169.75 95.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -126.29 160.81 29.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.08 159.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 72.14 154.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.08 -152.52 5.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.26 -120.08 5.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 72.89 179.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.557 ' CB ' HD23 ' A' ' 65' ' ' LEU . 1.4 m-20 -59.93 127.9 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.9 p -122.31 159.6 27.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 97' ' ' ARG . 4.3 p90 -159.8 155.14 25.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG21 ' HG ' ' A' ' 33' ' ' LEU . 3.2 t -91.21 142.47 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -138.28 121.42 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -103.61 133.33 11.41 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 93' ' ' THR . 21.1 p -127.64 132.89 49.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.88 140.01 49.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -117.32 116.44 27.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.2 162.17 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -14.82 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.534 HG23 ' OE1' ' A' ' 86' ' ' GLU . 62.3 p -88.05 -32.36 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.16 -124.43 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 p -161.15 144.41 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -119.61 166.12 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -157.31 145.15 18.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.63 168.98 23.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.14 164.32 28.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 48.5 p -103.96 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.433 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.37 161.93 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -84.21 136.6 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 4.1 mttt -130.32 164.6 24.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -80.91 122.18 26.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -42.77 117.82 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -132.17 168.16 18.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' SER . 0.2 OUTLIER -67.82 -15.86 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -160.34 77.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.5 m -78.26 123.27 26.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.822 HG22 ' HG2' ' A' ' 34' ' ' GLU . 31.2 p -121.61 136.83 54.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.425 ' NE1' ' HG3' ' A' ' 66' ' ' LYS . 22.0 m-90 -102.61 171.62 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.03 -31.19 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.69 159.06 35.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.46 -171.53 24.81 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 63' ' ' THR . 5.9 mt -96.8 170.65 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -166.99 119.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD12 ' HB ' ' A' ' 59' ' ' VAL . 1.6 mm? -112.97 141.69 26.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 86' ' ' GLU . 24.8 tp -153.04 157.46 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 139.19 41.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.605 ' CG ' HD12 ' A' ' 87' ' ' LEU . 10.3 tt0 -55.27 -21.24 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.44 -8.04 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.66 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.1 mt-10 -117.11 5.77 12.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 84' ' ' GLU . 13.3 mt -57.57 -49.89 91.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -10.03 21.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.787 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 17.2 p -119.29 26.05 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.49 153.52 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 113' ' ' LEU . 61.9 m -139.49 155.85 47.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 HD13 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -112.28 112.01 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.671 ' N ' HD22 ' A' ' 92' ' ' LEU . 2.6 m -105.37 106.47 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.878 HD13 HD11 ' A' ' 92' ' ' LEU . 1.2 mp -78.49 143.76 36.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.3 147.02 35.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -127.14 103.94 7.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -99.4 137.17 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 p -103.38 128.68 50.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 15.7 t -46.98 150.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.68 138.94 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.4 ttt85 -171.84 -67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' SER . 3.1 m-30 -110.06 -43.68 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER 84.07 36.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.044 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -61.76 -70.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 153.52 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -31.48 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.492 HG11 ' CD ' ' A' ' 110' ' ' GLU . 4.8 t -126.07 130.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.08 -27.67 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.21 138.55 3.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.492 ' CD ' HG11 ' A' ' 107' ' ' VAL . 1.3 mp0 -107.35 128.93 54.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.653 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -119.9 103.22 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.32 149.98 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 112' ' ' ARG . 63.9 mt -154.5 172.35 17.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.87 145.92 16.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 92' ' ' LEU . 22.6 mt -101.41 -35.68 9.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -40.51 -32.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 106.36 30.64 4.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -105.95 -81.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -40.38 -70.17 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.614 HG21 HD22 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -120.49 139.99 29.63 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.93 171.83 17.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 67.9 mt -96.44 155.4 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.36 20.17 21.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.63 101.65 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HB2' ' HG3' ' A' ' 32' ' ' ARG . . . -66.13 131.59 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.03 157.06 42.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.561 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 54.9 m95 -105.98 89.68 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.96 159.65 30.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.24 127.14 53.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 13' ' ' PRO . 43.1 mt -59.44 132.37 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.3 mmtt -99.51 62.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' LYS . 74.3 p -35.54 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -63.06 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.57 156.51 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.79 8.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 104.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -167.34 -61.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -134.88 -57.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -40.36 159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 -128.65 2.73 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.43 167.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m 66.6 133.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 109.63 0.9 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -174.6 143.64 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.001 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.83 161.19 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.68 -60.29 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -79.15 125.79 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.53 153.21 42.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.609 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.5 Cg_endo -74.97 129.61 12.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -113.2 143.52 44.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD21 ' A' ' 130' ' ' LEU . 8.9 tp -136.47 118.18 15.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.2 t-80 -89.36 139.4 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.446 ' CD1' HD21 ' A' ' 19' ' ' LEU . 24.1 p90 -157.56 147.14 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 t -118.68 111.71 18.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.21 124.82 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 18.2 t70 -151.99 116.21 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 87' ' ' LEU . 67.4 t80 -101.42 118.9 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -92.6 85.84 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 16.9 p -44.61 -42.82 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 3.0 mt-30 -46.67 -47.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 3.9 mttt -88.85 -37.46 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 84.03 30.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.54 134.52 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 35.3 tp -70.7 166.04 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 96.1 m-85 -149.55 133.23 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 78' ' ' LEU . 8.1 t -126.06 92.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.5 p -105.85 -166.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 57.06 41.92 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -72.46 119.38 16.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' CG ' HG22 ' A' ' 73' ' ' THR . 0.3 OUTLIER -151.46 83.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.82 159.44 6.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 46.2 t -149.18 69.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' SER . 9.7 t -150.92 117.32 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' THR . 0.1 OUTLIER 161.04 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HA ' HD11 ' A' ' 70' ' ' LEU . 1.5 m-80 -160.37 -65.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.99 64.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.19 121.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.99 78.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.42 57.61 0.49 Allowed Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 167.81 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.581 ' CB ' HD12 ' A' ' 65' ' ' LEU . 64.9 m-20 -95.62 130.13 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.4 p -116.52 154.36 30.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 30.0 p90 -148.09 162.48 39.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 33' ' ' LEU . 3.7 t -90.43 149.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -135.18 136.05 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.85 146.68 17.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.4 p -142.1 136.71 30.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -130.41 134.3 62.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -115.89 116.05 27.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.27 172.46 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -70.86 -4.81 26.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.6 p -100.96 -24.93 14.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.42 -120.92 0.96 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.4 p -168.55 145.53 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.8 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -125.02 151.95 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.57 160.08 39.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.95 164.23 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.86 171.5 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.746 HG23 HD21 ' A' ' 78' ' ' LEU . 46.0 p -101.35 176.63 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -74.43 138.02 43.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.581 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -50.26 157.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' ASP . 14.4 mttt -156.2 -176.52 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.08 127.85 44.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -54.99 129.86 39.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -146.3 178.28 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -82.9 -3.9 57.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -169.39 67.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 44.5 m -70.86 151.7 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 34' ' ' GLU . 68.2 p -136.9 152.15 49.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' NE1' ' O ' ' A' ' 64' ' ' ALA . 26.8 m-90 -123.96 176.66 6.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.006 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -108.12 -31.94 7.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -108.99 170.26 8.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA2' HD23 ' A' ' 33' ' ' LEU . . . -118.98 -164.61 12.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.746 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 mt -114.86 118.17 32.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -114.87 135.77 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -134.32 139.45 32.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 87' ' ' LEU . 12.3 tp -158.12 149.1 20.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.824 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -89.42 134.54 34.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.1 tt0 -54.81 -24.77 24.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.1 -6.36 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.824 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.3 mt-10 -114.69 -5.97 12.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.766 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -44.14 -50.49 20.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -74.94 -27.01 10.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.2 p -97.83 27.33 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.55 152.46 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -139.72 139.67 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD12 ' H ' ' A' ' 93' ' ' THR . 13.0 tp -100.5 149.77 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.669 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.4 m -142.76 110.96 6.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -85.63 144.4 27.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.691 HG22 HG11 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -144.95 131.41 19.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 57.0 tp -99.16 99.82 10.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.3 mtm180 -96.78 146.35 24.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.6 p -104.84 143.29 33.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.451 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 39.1 t -60.42 128.45 36.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' ARG . 14.0 p30 -169.27 172.33 7.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.595 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 5.6 ttm-85 -38.56 -55.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 34.6 m-85 -154.21 98.97 2.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.62 58.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 102' ' ' PHE . 16.1 ptp180 -99.16 137.42 37.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m170 51.07 22.63 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 m -124.92 124.81 42.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.691 HG11 HG22 ' A' ' 95' ' ' THR . 8.4 t -140.99 117.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -61.49 -23.59 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.92 128.59 1.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -108.99 137.85 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -127.68 147.03 50.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -115.27 143.56 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 44.6 mt -146.8 173.42 12.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.865 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.96 145.53 17.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.865 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.29 30.99 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 1.4 p30 -99.47 -36.39 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 111.23 34.78 2.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 119' ' ' SER . 2.7 m -117.76 -85.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 118' ' ' THR . 44.4 m -41.94 -67.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.99 132.77 23.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.65 17.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.8 mt -97.33 154.96 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.13 20.61 21.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -130.68 100.84 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.18 135.78 55.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -130.42 158.59 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 52.4 m95 -105.96 96.4 6.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.43 147.73 16.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 151.76 21.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.63 HD23 HD12 ' A' ' 111' ' ' LEU . 58.9 mt -80.51 133.49 35.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.97 56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.4 p -39.09 124.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.07 80.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -111.13 157.3 15.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 p -53.59 -39.54 64.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.38 -173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.92 171.39 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 170.78 7.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.79 -140.29 4.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.39 170.38 22.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.6 170.47 15.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 165.5 38.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' TRP . 5.3 t -171.87 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' SER . 33.0 p90 44.24 80.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.82 118.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 62.73 162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 152.55 36.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.617 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 122.35 7.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.577 1.83 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -106.64 145.58 31.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' HD21 ' A' ' 130' ' ' LEU . 4.6 tp -140.65 110.12 6.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 16.2 t-80 -86.55 141.96 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.551 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' HG13 ' A' ' 30' ' ' VAL . 25.1 p90 -159.06 139.64 12.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 t -112.58 112.23 23.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 108.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 120' ' ' VAL . 0.4 OUTLIER -86.54 132.84 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.77 113.07 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.0 t80 -95.65 120.19 35.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.9 t0 -97.35 86.51 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 13.3 p -41.89 -35.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.15 -48.39 78.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.4 mttt -88.5 -18.76 27.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 59.76 39.82 20.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.29 138.5 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.0 tm? -80.06 142.32 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.683 ' N ' HD13 ' A' ' 28' ' ' LEU . 57.1 m-85 -123.16 144.18 49.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 17' ' ' TYR . 61.4 t -129.49 72.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.4 p -80.76 -164.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 44.52 61.16 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.884 HD22 HG11 ' A' ' 48' ' ' VAL . 61.0 mt -91.49 125.34 36.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' HG22 ' A' ' 73' ' ' THR . 39.0 mt-10 -155.64 102.05 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.58 126.79 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.4 t -113.14 79.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.2 p -110.94 -173.85 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.2 p -152.78 164.6 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 61.96 155.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -171.09 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.23 -47.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.32 -164.67 13.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.81 81.95 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.2 m -142.89 151.73 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' CB ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -81.9 145.12 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.02 149.51 29.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.3 p90 -154.87 155.89 35.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.884 HG11 HD22 ' A' ' 33' ' ' LEU . 15.9 t -90.84 142.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' OE1' ' NE ' ' A' ' 97' ' ' ARG . 2.2 tt0 -133.93 136.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.95 145.25 18.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 p -135.21 136.03 41.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -126.14 145.55 33.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -130.09 114.56 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 179.91 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -73.34 -11.49 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.514 HG23 ' OE2' ' A' ' 86' ' ' GLU . 44.9 p -93.7 -29.18 15.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.5 -122.53 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 p -163.66 165.92 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' A' ' 81' ' ' PRO . 6.5 m -138.13 177.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 36.1 mt-10 -160.39 135.43 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.11 167.25 22.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -163.09 172.38 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.745 HG21 ' CD1' ' A' ' 33' ' ' LEU . 37.7 p -106.99 176.21 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.54 167.36 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.576 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -88.47 126.09 35.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 6.1 mmtm -116.41 177.28 4.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -102.87 130.17 49.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.2 125.95 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -147.06 162.34 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -16.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.409 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 4.3 t-160 -161.49 84.86 0.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.1 m -82.17 117.29 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.577 HG22 ' HG2' ' A' ' 34' ' ' GLU . 38.2 p -115.9 147.5 41.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.496 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 18.6 m-90 -113.37 -176.67 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.17 -43.21 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -98.83 168.3 10.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.1 168.9 13.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 63' ' ' THR . 32.9 mt -73.64 168.95 18.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 80' ' ' LEU . 41.5 t -153.14 111.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -117.32 131.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.875 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.07 121.92 6.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 30.8 tp -150.36 143.21 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.787 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.25 139.99 30.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -53.65 -20.22 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -84.97 -15.69 43.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.787 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 8.3 mt-10 -107.72 10.79 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 21' ' ' TYR . 14.3 mt -65.11 -51.18 56.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.0 -10.68 21.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 p -117.78 31.56 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -141.79 164.55 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 1.7 m -150.84 138.65 19.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 tm? -103.57 118.55 36.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.438 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.7 m -111.06 114.07 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 92' ' ' LEU . 80.7 mt -83.97 146.73 27.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.941 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.43 134.96 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 52.5 tp -104.56 98.47 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -100.99 160.21 14.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' CYS . 27.9 p -113.44 157.1 22.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 32.0 t -54.54 -102.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' SG ' ' A' ' 99' ' ' CYS . 0.5 OUTLIER 69.57 177.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.516 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -52.77 -64.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 43.9 m-85 -139.49 46.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.72 58.01 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 158.3 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 70.29 172.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -59.78 -176.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.941 HG21 HG22 ' A' ' 95' ' ' THR . 3.0 m -80.72 160.61 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.772 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.81 -14.7 63.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.715 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 165.5 143.54 3.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -120.11 152.62 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -140.11 143.71 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.83 ' CZ ' HG21 ' A' ' 91' ' ' THR . 8.6 tpt180 -111.33 141.43 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 112' ' ' ARG . 20.4 mt -148.4 173.63 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.721 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.39 160.29 23.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.62 -26.56 8.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.61 -33.77 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.27 26.02 5.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' SER . 6.1 m -100.69 -86.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' THR . 34.7 m -37.59 -54.25 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -137.6 135.45 19.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.93 171.34 18.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.7 mt -94.64 158.4 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.82 18.79 8.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.81 101.04 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.786 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -65.45 142.94 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 12.4 mm-40 -138.57 153.31 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 21.1 m95 -105.8 77.12 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.85 144.12 19.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 156.82 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 63.8 mt -81.27 137.94 35.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -99.86 60.67 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.7 p -50.91 150.18 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -168.47 89.33 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -168.94 176.44 43.11 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.9 p -127.72 175.39 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.9 t -137.02 148.76 47.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -130.5 -59.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.21 -60.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.13 -169.45 14.85 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -169.82 166.56 9.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -154.39 170.47 21.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.49 -159.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.4 t -125.12 -74.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -166.21 136.78 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 168.07 107.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 63.59 120.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.87 151.66 58.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -75.0 130.87 13.68 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.0 mtmm -114.56 148.28 38.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.1 tp -139.04 113.1 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 17.3 t-80 -85.46 141.96 29.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.639 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.689 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 19.3 p90 -159.23 139.09 11.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -116.17 100.88 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.0 mt -74.45 140.24 44.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -160.37 111.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.4 t80 -105.57 114.12 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.3 85.73 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -43.92 -35.91 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 108.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -45.9 82.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -97.34 -1.55 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 48.98 26.91 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 3.0 mt-10 -116.75 140.28 49.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' A' ' 29' ' ' PHE . 39.5 tp -87.52 167.91 13.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 76.1 m-85 -157.43 133.28 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.8 t -124.24 74.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -80.36 -165.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 47.05 57.48 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 78' ' ' LEU . 55.0 mt -91.22 121.59 33.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -151.34 99.73 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.89 133.14 39.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG23 ' CZ3' ' A' ' 127' ' ' TRP . 25.5 t -120.5 82.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.5 p -119.49 -53.08 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t 74.21 171.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.82 113.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.32 89.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.02 -167.91 29.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' NE ' ' A' ' 68' ' ' ARG . . . 158.68 -67.52 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.23 179.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 1.3 m-20 -78.37 137.35 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.0 p -110.95 162.02 15.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' O ' HD23 ' A' ' 96' ' ' LEU . 10.3 p90 -159.8 160.05 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG23 ' CH2' ' A' ' 74' ' ' TRP . 22.8 t -91.7 140.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HG3' ' CG ' ' A' ' 62' ' ' GLN . 1.9 tt0 -126.94 134.98 50.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.91 126.06 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 93' ' ' THR . 1.4 p -122.84 127.55 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.643 HG23 HD13 ' A' ' 80' ' ' LEU . 1.1 t -119.7 127.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -113.3 115.67 28.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -112.22 -177.59 3.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -81.55 5.43 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.743 HG23 ' OE1' ' A' ' 86' ' ' GLU . 73.0 p -109.53 -21.26 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.03 -121.65 1.04 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -165.17 142.67 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -123.02 156.31 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 44.7 mt-10 -141.65 154.02 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -161.68 144.04 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 49' ' ' GLN . 6.0 mt-30 -137.57 172.67 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.936 HG23 HD21 ' A' ' 78' ' ' LEU . 40.2 p -111.46 173.21 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.5 137.52 58.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.5 mp -63.55 132.77 52.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -128.35 152.49 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 140.42 52.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' NE ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -54.19 132.47 43.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -145.06 157.6 44.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 70' ' ' LEU . 6.2 tt -55.9 -19.78 13.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -163.44 81.34 0.46 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.638 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.3 m -73.99 151.72 40.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.5 p -143.65 156.03 44.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.561 ' CH2' HG23 ' A' ' 48' ' ' VAL . 31.7 m-90 -125.5 164.02 21.4 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.11 -45.81 9.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.64 172.41 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.32 -168.94 15.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 63' ' ' THR . 23.1 mt -107.55 115.63 30.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -113.35 136.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.643 HD13 HG23 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -134.46 143.33 46.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.868 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 86' ' ' GLU . 22.6 tp -152.45 156.62 39.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.916 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -104.2 136.93 42.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -53.52 -23.9 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.63 -8.55 59.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.916 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.4 mt-10 -114.55 5.49 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.8 mt -58.03 -51.11 84.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.07 -16.89 19.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -109.7 27.04 9.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.82 159.14 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' CA ' HD21 ' A' ' 115' ' ' LEU . 1.3 m -145.46 139.34 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -106.11 111.45 24.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.654 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.8 m -108.79 109.79 21.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 113' ' ' LEU . 18.4 mt -80.33 143.88 33.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.756 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -138.44 137.32 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.741 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -113.83 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.37 159.75 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' CYS . 1.6 p -111.87 133.97 53.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 7.9 t -41.25 144.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.254 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.11 142.1 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 1.9 tpt85 -158.49 -47.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 30.2 m-85 -150.18 28.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 m 51.84 68.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.28 145.97 43.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -86.89 155.1 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.88 179.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 HG22 ' A' ' 95' ' ' THR . 5.1 m -95.13 164.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -67.08 -20.46 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.44 146.27 6.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.609 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -119.32 139.35 52.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.729 HD21 ' C ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -137.49 104.81 5.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.699 ' O ' HD23 ' A' ' 113' ' ' LEU . 7.4 ttp85 -81.27 154.1 26.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 112' ' ' ARG . 45.3 mt -153.19 173.03 16.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.66 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -126.76 155.88 19.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -109.0 -30.15 8.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.507 ' OD2' ' CG2' ' A' ' 118' ' ' THR . 14.2 p-10 -55.28 -27.44 46.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.47 31.83 6.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 119' ' ' SER . 8.8 t -101.77 -55.35 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 118' ' ' THR . 16.4 m -69.84 -57.27 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.708 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.4 m -133.94 139.2 32.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.03 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 mt -97.42 160.12 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 50.51 24.46 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.02 100.08 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 124.19 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.708 ' OE1' HG12 ' A' ' 120' ' ' VAL . 5.1 pt20 -139.03 160.43 39.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.574 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 68.7 m95 -105.9 153.0 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.729 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -145.74 144.97 13.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.13 125.68 35.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' A' ' 13' ' ' PRO . 55.6 mt -61.46 131.23 49.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' THR . 2.4 mttt -97.05 57.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 108' ' ' ALA . 62.8 p -36.13 -43.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.82 -179.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -49.09 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.777 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.1 m -159.66 115.77 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -155.37 161.21 41.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -168.5 174.15 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 150.96 9.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -163.19 143.72 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -122.55 -72.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.89 -143.02 25.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t 69.1 113.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -161.61 154.03 19.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 108.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.45 -68.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 161.27 18.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.67 153.79 56.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.99 128.21 11.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -113.18 145.6 40.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 17' ' ' TYR . 7.2 tp -139.6 111.62 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 8.3 t-80 -80.9 139.05 36.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.655 ' OH ' HD21 ' A' ' 113' ' ' LEU . 16.6 p90 -159.06 134.92 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' THR . 49.5 t -108.09 109.05 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -85.47 131.11 34.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -155.71 114.76 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 87' ' ' LEU . 70.9 t80 -100.85 115.54 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.7 t0 -91.09 86.18 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 p -42.78 -35.92 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -57.64 -46.64 83.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -96.41 1.67 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.47 35.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 80' ' ' LEU . 3.6 mm-40 -130.58 133.65 46.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 79' ' ' VAL . 36.9 tp -75.39 164.36 26.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 79' ' ' VAL . 79.5 m-85 -146.46 139.43 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG11 HD21 ' A' ' 94' ' ' LEU . 40.0 t -129.8 81.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.6 p -93.01 -179.41 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.8 mmt-85 57.62 52.81 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 48' ' ' VAL . 16.2 mt -84.2 123.37 30.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HB3' ' NE2' ' A' ' 71' ' ' HIS . 46.0 mt-10 -153.03 107.34 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.87 136.76 36.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 36' ' ' VAL . 49.1 t -126.79 70.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -102.63 -175.26 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.1 p -151.54 96.24 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -177.56 145.58 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.4 96.33 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -159.63 99.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.93 -169.59 14.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 71.15 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -124.63 161.77 25.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.545 ' HB3' HD12 ' A' ' 65' ' ' LEU . 5.0 m-20 -103.02 125.74 49.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -92.75 151.53 19.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.842 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.4 p90 -152.64 152.31 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.644 HG23 ' CZ2' ' A' ' 74' ' ' TRP . 16.8 t -91.42 149.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 8.6 tt0 -138.36 121.23 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -107.06 120.68 6.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.552 ' O ' HD12 ' A' ' 92' ' ' LEU . 5.9 t -121.99 151.58 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -136.88 164.6 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.11 113.17 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.13 179.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -75.36 -3.27 32.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' OE1' ' A' ' 86' ' ' GLU . 20.6 p -104.27 -18.02 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.45 -124.36 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 p -158.58 164.35 36.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -133.49 167.33 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 29.3 mt-10 -153.96 140.67 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -150.97 169.37 21.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 177.79 10.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.359 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.786 HG23 HD21 ' A' ' 78' ' ' LEU . 46.8 p -113.7 177.27 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.09 134.79 47.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.842 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.54 158.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 13.1 mmtm -144.61 164.72 30.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -92.39 116.95 29.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -41.84 120.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -140.03 164.98 28.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -17.42 42.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 14.2 t-160 -164.05 81.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.7 m -74.82 146.28 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -137.88 150.11 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.644 ' CZ2' HG23 ' A' ' 48' ' ' VAL . 29.5 m-90 -115.56 152.51 32.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.84 -26.24 21.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.41 166.48 11.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -120.21 175.23 15.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 HG23 ' A' ' 63' ' ' THR . 4.4 mt -94.93 175.07 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -167.48 118.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.618 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.2 mm? -111.35 139.93 22.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 128.48 11.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 86' ' ' GLU . 33.4 tp -155.51 154.3 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.894 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -102.85 139.83 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.1 tt0 -53.54 -22.0 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.45 -15.77 48.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.894 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 3.6 mt-10 -109.17 13.11 24.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 84' ' ' GLU . 14.1 mt -66.46 -50.8 45.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 -10.94 21.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.56 27.3 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -139.08 161.3 37.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' ARG . 3.0 m -150.72 141.08 22.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 93' ' ' THR . 15.0 tp -100.6 147.35 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 92' ' ' LEU . 46.9 m -146.59 97.37 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 30' ' ' VAL . 6.2 mt -76.96 126.45 31.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.5 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -119.62 131.83 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 50.4 tp -100.18 97.98 8.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -102.67 149.45 24.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' CYS . 2.3 p -102.48 135.62 43.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 110.451 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' THR . 35.1 t -41.52 152.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -42.56 124.92 3.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.22 -69.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 104' ' ' ARG . 43.8 m-85 -137.59 14.28 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.18 53.12 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.979 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -153.33 -45.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -48.83 149.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -120.4 -159.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.92 121.89 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.33 -20.22 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 176.66 137.0 2.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' THR . 3.0 mt-10 -107.95 143.6 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -133.84 110.11 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.356 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.65 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -88.64 138.33 31.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD21 ' OH ' ' A' ' 17' ' ' TYR . 50.0 mt -145.32 172.53 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -127.78 161.91 21.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -115.47 -36.24 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 9.7 p-10 -43.5 -29.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 105.64 32.0 4.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.8 m -106.66 -82.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 67.0 m -38.44 -67.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -123.97 140.74 35.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.0 171.49 18.23 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.9 mt -96.56 155.85 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 52.79 25.54 22.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -132.63 101.37 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -62.46 134.93 57.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -132.34 158.3 42.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.58 ' CZ3' ' CG2' ' A' ' 36' ' ' VAL . 38.2 m95 -109.06 88.49 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -83.83 156.64 33.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -107.71 123.59 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 111' ' ' LEU . 33.6 mt -59.81 131.38 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -95.82 60.5 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' LYS . 66.6 p -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 m 40.13 78.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.72 177.93 46.9 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.538 1.81 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.51 160.64 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.47 152.53 50.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -51.31 150.11 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.4 m -159.38 -60.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 -65.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t 70.15 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -51.26 143.91 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.05 79.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -164.96 166.03 19.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -143.22 -64.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.029 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.18 137.54 11.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 64.63 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.76 154.65 48.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HG3' ' CG2' ' A' ' 132' ' ' THR . 18.3 Cg_endo -75.02 136.6 20.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.02 153.59 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.4 tm? -159.5 136.61 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.917 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 48.6 t-80 -114.47 140.07 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.821 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 9.2 p90 -144.36 138.73 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' OD2' ' A' ' 20' ' ' ASP . 20.0 t -108.19 112.42 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.611 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -92.03 135.52 33.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' SG ' ' A' ' 18' ' ' CYS . 2.0 m-20 -160.84 111.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 71.3 t80 -100.84 112.52 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 t0 -88.49 86.67 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.1 p -43.18 -34.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -58.69 -46.49 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -96.58 0.92 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.39 38.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.4 mm-40 -132.65 128.16 36.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 38.3 tp -72.28 163.86 27.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -143.0 139.55 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.89 73.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 p -90.89 -170.56 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 64.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 48' ' ' VAL . 21.6 mt -96.53 126.69 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 73' ' ' THR . 5.4 mp0 -151.55 102.48 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 138.08 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 14' ' ' LYS . 22.7 t -129.97 89.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.8 p -112.01 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.23 -80.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 40' ' ' HIS . 45.6 t30 -133.18 140.69 47.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 39' ' ' ASN . 4.3 m-70 -167.44 75.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.34 149.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.8 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.1 -34.37 4.14 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 m -58.51 179.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HD12 ' A' ' 65' ' ' LEU . 54.7 m-20 -91.98 134.58 34.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 p -101.71 138.18 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.853 ' HB3' HD13 ' A' ' 65' ' ' LEU . 53.7 p90 -147.17 154.75 41.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 33' ' ' LEU . 15.5 t -91.67 147.92 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' THR . 5.1 tt0 -141.92 124.47 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -119.2 126.9 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.5 t -117.14 146.62 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.737 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -125.34 148.17 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.6 111.68 13.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.87 169.18 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -13.03 44.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.8 p -90.01 -28.66 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.5 -129.61 2.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.3 p -151.73 160.32 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.823 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -138.75 167.76 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 30.9 mt-10 -153.91 160.63 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -170.95 165.31 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.05 171.19 19.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.518 HG21 ' CD1' ' A' ' 33' ' ' LEU . 42.4 p -100.47 -179.91 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.52 135.96 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 47' ' ' TYR . 4.1 mm? -48.44 152.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -149.44 142.41 24.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 136.45 57.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 131.86 46.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -148.38 154.04 39.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.34 -26.73 53.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -149.12 79.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -77.12 149.57 35.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -141.26 152.12 44.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 27.0 m-90 -121.85 174.25 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.98 -46.07 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.07 177.53 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.54 -163.91 11.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 50' ' ' GLY . 15.4 mt -98.15 173.32 7.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 21.8 t -152.66 95.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.46 124.51 40.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.823 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.97 124.43 8.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 87' ' ' LEU . 22.9 tp -149.92 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.777 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -106.11 138.89 41.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.3 tt0 -54.92 -19.01 5.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -86.63 -11.41 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.777 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.4 mt-10 -112.39 -0.69 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.65 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.8 mt -49.01 -50.98 59.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.554 1.818 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 3.5 p -103.06 26.92 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.48 157.4 44.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 112' ' ' ARG . 2.5 m -144.05 140.75 29.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.87 HD11 ' CD1' ' A' ' 94' ' ' LEU . 1.9 tm? -109.9 134.69 51.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 111' ' ' LEU . 2.7 m -132.04 131.01 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.87 ' CD1' HD11 ' A' ' 92' ' ' LEU . 5.0 mp -92.41 149.3 21.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.942 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -148.51 131.01 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.769 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.8 tp -108.24 99.03 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.15 160.2 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 100' ' ' ASP . 21.6 p -111.39 128.91 56.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.6 t -53.61 93.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -144.24 161.98 37.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -51.53 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.13 -36.9 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 68.33 53.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -40.95 161.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 68.58 155.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -52.64 168.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.942 HG21 HG22 ' A' ' 95' ' ' THR . 4.7 m -50.68 168.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.8 -14.5 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.725 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 170.66 125.44 0.81 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 18.6 tt0 -116.01 140.79 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.82 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -128.6 153.44 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.666 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -121.9 146.78 46.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.821 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 16.8 mt -149.01 173.3 13.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.743 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.45 139.06 10.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.02 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.9 p30 -87.76 -21.77 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 94.45 38.0 5.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.5 m -119.95 -80.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 118' ' ' THR . 73.7 m -40.88 -57.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.542 HG21 HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -134.36 138.12 29.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.1 Cg_endo -75.02 171.57 18.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.6 mt -97.21 156.94 16.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.22 21.49 25.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 126' ' ' GLN . . . -124.72 101.05 6.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -72.29 115.32 11.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.19 149.25 51.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.177 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 34.1 m95 -79.8 164.31 23.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.525 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -163.43 130.96 2.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -70.57 136.49 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.82 HD23 HD12 ' A' ' 111' ' ' LEU . 23.1 mt -77.72 132.57 38.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' THR . 5.3 mmpt? -93.17 63.66 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 13' ' ' PRO . 71.9 p -38.43 -45.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 p -71.69 123.82 23.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 135.15 158.79 8.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.39 38.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.812 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 t -102.76 110.44 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 132.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -145.37 159.46 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -103.3 -60.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.42 -164.41 26.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 162.73 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -95.95 -59.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.49 -79.92 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.4 p 60.61 170.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.984 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -156.82 -70.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.58 -75.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -64.84 167.76 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.53 151.3 42.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.98 128.76 11.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' OE2' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -110.85 145.73 37.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 130' ' ' LEU . 7.0 tp -141.09 119.61 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.758 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 5.5 t-80 -91.34 139.72 30.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.2 p90 -157.92 134.89 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.61 101.95 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 108.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.57 127.16 32.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -150.32 112.18 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE2' HD11 ' A' ' 87' ' ' LEU . 71.9 t80 -96.14 118.0 31.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' LYS . 9.2 t0 -93.85 86.16 5.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -42.26 -32.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.271 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.14 -49.19 78.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.1 mttt -87.07 -22.45 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 63.98 41.34 6.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -140.61 143.08 35.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' A' ' 115' ' ' LEU . 2.5 tm? -82.76 142.45 31.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 79' ' ' VAL . 72.5 m-85 -124.88 145.45 49.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.69 HG11 HD21 ' A' ' 94' ' ' LEU . 96.0 t -131.19 75.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 64.9 p -85.41 -170.46 3.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 51.51 56.89 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 HG11 ' A' ' 48' ' ' VAL . 62.1 mt -85.86 113.29 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.712 ' HG2' HG22 ' A' ' 73' ' ' THR . 33.0 mt-10 -141.52 89.56 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.08 136.37 50.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 36' ' ' VAL . 52.2 t -129.54 68.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.8 p -67.15 -52.01 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER 61.51 126.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 46.04 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -167.71 92.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.57 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.52 97.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.94 -76.48 0.39 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.94 -44.31 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.7 p -48.94 171.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.701 ' HB3' HD12 ' A' ' 65' ' ' LEU . 15.5 m-20 -82.02 109.86 16.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.81 135.55 36.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.846 ' HB3' HD13 ' A' ' 65' ' ' LEU . 43.3 p90 -141.25 154.32 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.834 HG11 HD22 ' A' ' 33' ' ' LEU . 14.9 t -91.26 155.71 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 15.9 tt0 -151.05 128.88 11.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' HD13 ' A' ' 78' ' ' LEU . . . -112.45 116.46 4.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 11.8 p -107.84 130.54 54.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -119.09 153.92 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -136.84 112.49 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 162.42 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -18.05 10.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -85.8 -26.48 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.395 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.91 -131.65 2.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.6 p -154.09 162.42 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.056 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.828 HG11 ' HG2' ' A' ' 81' ' ' PRO . 11.0 m -137.06 178.02 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 27.8 mt-10 -162.07 129.37 3.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -133.25 163.88 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.04 174.8 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 HD21 ' A' ' 78' ' ' LEU . 34.4 p -110.32 -175.4 2.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.75 132.54 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.8 mm? -40.99 150.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 24.0 mmtt -138.65 -178.13 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -102.77 115.28 30.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -42.97 124.41 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -140.03 175.43 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mm? -73.18 -5.98 42.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 13.9 t-160 -173.51 75.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -73.32 143.24 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.712 HG22 ' HG2' ' A' ' 34' ' ' GLU . 61.2 p -136.02 148.68 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CH2' HG23 ' A' ' 48' ' ' VAL . 27.1 m-90 -114.47 167.15 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.66 -40.9 7.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.67 171.35 8.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.09 162.71 19.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD21 HG23 ' A' ' 63' ' ' THR . 10.5 mt -71.98 163.03 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.603 HG22 ' CD2' ' A' ' 29' ' ' PHE . 46.5 t -150.03 114.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.4 mm? -119.48 135.57 24.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.828 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 123.04 7.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -154.16 133.87 12.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.808 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -83.86 150.58 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.691 ' HG2' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -67.25 -18.61 65.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.5 -5.67 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 3.7 mt-10 -116.59 -7.94 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.6 mt -41.02 -50.89 7.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.95 -25.15 12.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.7 p -101.74 27.27 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.31 154.49 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 113' ' ' LEU . 93.5 m -143.76 155.67 44.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 93' ' ' THR . 12.4 tp -114.03 151.47 32.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.814 ' H ' HD12 ' A' ' 92' ' ' LEU . 4.0 m -144.96 109.13 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.69 HD21 HG11 ' A' ' 30' ' ' VAL . 47.1 mt -77.51 144.86 37.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 124.02 12.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.796 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -102.93 100.54 10.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -104.5 158.47 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 p -107.02 137.44 45.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 12.4 t -45.53 118.18 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -162.02 167.63 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.54 ' CB ' ' CD1' ' A' ' 102' ' ' PHE . 6.3 mtt180 -38.21 -56.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CD1' ' CB ' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -159.94 98.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.438 ' O ' ' NE ' ' A' ' 97' ' ' ARG . 78.3 p -68.91 57.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 104' ' ' ARG . 1.1 ptt85 -119.75 56.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 106' ' ' SER . 6.5 p80 -174.81 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 105' ' ' HIS . 68.3 m -119.76 158.55 26.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.2 t -146.68 134.03 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -68.03 -36.89 80.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.852 ' HA3' HD13 ' A' ' 130' ' ' LEU . . . -173.86 124.18 1.02 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -115.11 127.55 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -112.54 151.85 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -118.72 126.52 52.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 120' ' ' VAL . 46.0 mt -130.09 173.0 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -132.78 142.96 14.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' A' ' 28' ' ' LEU . 5.5 mt -104.43 24.4 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -99.98 -3.9 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 75.82 32.24 54.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.6 m -111.34 -84.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' THR . 4.1 m -38.64 -58.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.839 HG12 ' OE1' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -133.31 137.15 28.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.01 172.09 17.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.21 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 54.24 25.21 32.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.71 100.7 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.18 121.34 12.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.839 ' OE1' HG12 ' A' ' 120' ' ' VAL . 3.8 pt20 -138.37 151.17 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.758 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 49.7 m95 -99.58 136.6 39.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 108.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.625 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -133.35 138.82 10.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 111.058 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.501 ' OE2' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.75 136.84 33.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 0.805 . . . . 0.0 110.255 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.852 HD13 ' HA3' ' A' ' 109' ' ' GLY . 67.1 mt -71.32 129.92 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -93.2 10.24 32.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.9 p 43.67 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 t -171.12 109.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.93 -148.49 19.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -177.92 3.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 110.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.2 p -161.32 160.97 30.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 156.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m 65.63 162.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.4 -153.43 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.39 137.69 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -178.61 170.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.03 -176.72 44.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.14 158.72 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.455 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -156.41 -63.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -47.55 171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -39.28 157.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' A' ' 129' ' ' GLU . . . -90.21 153.54 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -74.96 122.96 7.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 7.6 mtmm -109.95 145.71 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD11 HD12 ' A' ' 33' ' ' LEU . 5.3 tp -140.16 118.13 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.691 ' O ' HD13 ' A' ' 33' ' ' LEU . 5.1 t-80 -87.61 141.98 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.55 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.6 p90 -159.45 138.87 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 8.1 t -113.69 108.91 17.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 108.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -83.81 121.78 27.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.82 111.29 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 75.3 t80 -96.38 143.57 27.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.8 t0 -123.61 85.84 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ASP . 4.6 t -40.64 -33.92 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -58.77 -48.86 79.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' ASP . 6.9 mttt -90.08 -11.74 40.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 51.83 40.25 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.3 mt-10 -139.3 134.57 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.1 tm? -83.37 141.95 31.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' LEU . 87.5 m-85 -120.5 141.94 49.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 29.5 t -127.75 72.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HA3' ' A' ' 77' ' ' GLY . 40.5 p -85.04 -168.87 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 53.59 64.41 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -93.81 117.33 29.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' HG2' HG22 ' A' ' 73' ' ' THR . 54.8 mt-10 -144.66 88.42 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.77 129.82 39.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 36' ' ' VAL . 18.9 t -118.11 77.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.7 p -120.12 97.38 5.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -41.03 -60.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 173.33 164.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.33 -64.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -176.12 97.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.41 -104.87 0.45 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.18 -29.83 7.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.0 m -89.13 -178.81 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.794 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.58 136.44 36.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.646 ' O ' HD13 ' A' ' 65' ' ' LEU . 18.5 p -117.06 167.59 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 31.0 p90 -159.17 159.39 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 33' ' ' LEU . 4.0 t -91.19 141.6 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -133.24 127.51 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -120.88 125.82 6.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.492 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 4.3 t -119.31 150.57 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG23 HD23 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -135.8 142.98 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -128.5 112.13 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -107.0 -177.4 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -82.71 5.62 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.7 p -113.6 -29.94 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 54' ' ' ASN . . . 176.01 -124.22 0.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 p -170.04 156.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.952 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -138.07 157.29 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 44.0 mt-10 -142.38 165.96 25.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -171.77 166.31 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -153.91 168.93 24.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.865 HG23 HD21 ' A' ' 78' ' ' LEU . 39.7 p -101.18 -179.31 4.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -77.48 137.17 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD12 ' CB ' ' A' ' 45' ' ' ASP . 4.1 mm? -48.41 147.52 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -144.97 140.87 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -61.1 131.75 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.49 130.98 33.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -148.45 156.49 42.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.39 -16.94 40.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' HE2' ' HH2' ' A' ' 127' ' ' TRP . 10.5 t-160 -157.72 76.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m -73.99 148.86 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.531 HG22 ' HG2' ' A' ' 34' ' ' GLU . 56.7 p -139.23 152.51 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 21.9 m-90 -119.7 -179.87 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.0 -36.47 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.6 -176.43 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -132.26 174.81 20.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.865 HD21 HG23 ' A' ' 63' ' ' THR . 20.0 mt -92.68 122.3 34.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -114.9 134.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -135.76 143.67 45.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.952 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 120.26 5.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.843 HD22 ' N ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -145.56 130.85 18.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.843 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -80.14 137.44 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.803 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -55.78 -27.51 51.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.66 -13.27 59.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.664 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.5 mt-10 -105.89 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -49.56 -51.81 55.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.04 -13.5 21.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.4 p -115.15 27.28 9.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -142.5 155.03 45.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 113' ' ' LEU . 91.3 m -136.1 157.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -125.58 107.62 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 111' ' ' LEU . 18.7 m -107.24 124.15 49.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 4.9 mp -87.12 147.18 25.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.46 126.37 11.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -105.89 101.67 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.8 mtp180 -94.48 167.78 11.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 p -117.66 142.67 46.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.51 112.46 18.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 108.332 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.37 159.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HD3' ' CD1' ' A' ' 102' ' ' PHE . 3.3 ttm180 -39.01 -50.12 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 101' ' ' ARG . 1.1 m-85 -123.97 -54.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER 163.51 61.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.12 54.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.75 140.8 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 -74.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.82 139.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -82.51 -28.67 30.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.465 ' O ' HD22 ' A' ' 130' ' ' LEU . . . -179.07 127.39 1.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 94' ' ' LEU . 12.7 tt0 -110.04 138.4 46.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.789 HD12 HD23 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -120.66 151.74 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -117.08 144.18 44.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 112' ' ' ARG . 43.0 mt -152.37 173.12 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.81 143.88 15.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD22 ' HG ' ' A' ' 28' ' ' LEU . 22.1 mt -104.98 16.86 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' OD1' ' CB ' ' A' ' 118' ' ' THR . 1.7 p30 -86.74 -19.34 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.66 37.32 6.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.432 ' CB ' ' OD1' ' A' ' 116' ' ' ASP . 1.7 m -121.68 -81.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 m -40.29 -60.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -126.64 134.28 25.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.97 171.01 19.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.8 mt -96.4 155.77 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 56.02 19.3 22.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.66 102.01 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . . . -69.19 128.4 36.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -123.48 157.8 32.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.484 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 51.0 m95 -105.71 95.86 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -105.81 142.91 15.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -83.66 153.2 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.789 HD23 HD12 ' A' ' 111' ' ' LEU . 62.9 mt -79.28 134.68 36.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' THR . 6.6 mmpt? -94.86 58.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 54.3 p -37.62 -47.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.4 p -156.14 80.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.89 -147.17 14.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.31 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.19 170.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.9 t -116.92 151.82 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.85 126.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.86 -64.07 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.82 -177.26 20.33 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -162.06 170.05 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -155.99 130.78 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.64 -176.29 14.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 175.95 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -168.85 123.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.77 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -43.13 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.27 155.4 76.4 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -75.0 139.02 23.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -116.27 147.98 40.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' HD21 ' A' ' 130' ' ' LEU . 2.8 tp -142.52 113.48 7.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 14.7 t-80 -83.75 137.55 33.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 11.9 p90 -156.18 142.86 18.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.0 t -122.09 103.98 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD21 HD13 ' A' ' 113' ' ' LEU . 4.6 mt -75.67 138.36 41.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -160.08 112.09 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.737 ' CE2' HD11 ' A' ' 87' ' ' LEU . 77.9 t80 -100.17 112.72 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 26' ' ' ALA . 3.5 t0 -90.17 86.16 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' ASP . 8.1 p -41.96 -35.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.4 -47.59 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 2.8 mttt -90.07 -20.22 23.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 62.24 36.36 14.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.0 mt-10 -134.22 135.26 42.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.6 tm? -78.18 143.46 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' N ' HD13 ' A' ' 28' ' ' LEU . 70.8 m-85 -127.07 140.56 52.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 19' ' ' LEU . 28.2 t -126.74 72.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 18' ' ' CYS . 33.0 p -78.58 -173.85 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 27.5 mmt-85 53.88 57.51 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 48' ' ' VAL . 18.2 mt -88.4 117.0 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.6 ' HG2' HG22 ' A' ' 73' ' ' THR . 48.8 mt-10 -154.09 102.61 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.33 138.65 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.6 t -122.01 75.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.6 p -91.56 96.34 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -47.68 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -95.48 133.07 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.577 ' CG ' ' NH2' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 177.93 124.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.639 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.49 135.41 31.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.29 170.87 23.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.63 -168.27 36.77 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.9 138.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 67.9 m-20 -71.47 166.05 22.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.3 p -120.24 160.63 22.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 108.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 42.2 p90 -162.75 151.93 15.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 33' ' ' LEU . 13.1 t -91.58 146.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.92 132.04 38.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.767 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -119.72 118.1 3.81 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -114.18 136.63 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -122.39 142.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -121.17 97.14 5.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -68.04 168.48 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 54' ' ' ASN . 40.1 ttt-85 -32.42 -53.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -135.93 16.25 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -124.72 175.17 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 13.7 p -154.76 148.26 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.77 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -144.02 162.22 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -147.49 157.42 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.29 162.13 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -157.65 165.22 36.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 HD21 ' A' ' 78' ' ' LEU . 40.7 p -103.15 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 142.58 53.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 99' ' ' CYS . 1.4 mp -64.63 137.06 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.85 169.3 14.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 132.2 40.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.577 ' NH2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -62.8 100.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -120.47 172.96 7.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -17.61 64.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 17.3 t-160 -153.99 96.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.596 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.3 m -96.04 134.09 39.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.6 HG22 ' HG2' ' A' ' 34' ' ' GLU . 44.8 p -133.41 153.31 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -122.45 171.51 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 107.994 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -98.26 -43.88 6.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -93.77 167.79 11.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.96 172.24 14.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 50' ' ' GLY . 39.7 mt -81.76 124.86 30.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 t -110.3 130.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 50' ' ' GLY . 2.2 mt -138.76 131.02 15.7 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.77 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 119.04 5.48 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.801 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -145.52 131.86 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.801 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -78.68 153.04 31.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.883 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -71.12 -18.33 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.13 -7.02 59.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.633 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.9 mt-10 -114.82 -7.65 12.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.883 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.2 mt -41.82 -50.93 10.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -23.85 13.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -105.89 27.9 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -144.34 148.14 34.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 91.1 m -142.2 152.41 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.019 HD11 HD13 ' A' ' 94' ' ' LEU . 0.8 OUTLIER -107.35 142.25 37.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.73 ' N ' HD13 ' A' ' 92' ' ' LEU . 13.5 m -129.07 105.32 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.019 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -77.01 140.75 40.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.08 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -148.0 136.66 21.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.771 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 35.2 tp -107.78 98.67 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -97.15 156.83 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -104.1 147.28 27.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 44.8 t -42.96 155.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -49.64 107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -127.68 -58.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -133.78 -44.07 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t 72.17 45.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' HIS . 5.9 mtt-85 -84.32 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' ARG . 17.4 m-70 51.91 176.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 m 69.58 179.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.08 HG21 HG22 ' A' ' 95' ' ' THR . 4.0 m -136.48 167.92 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -72.57 -9.87 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.826 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.72 135.15 1.76 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.66 140.38 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -127.89 110.42 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.3 tpt180 -80.33 143.32 33.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD11 HD22 ' A' ' 94' ' ' LEU . 21.7 mt -145.47 173.92 11.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.71 142.83 14.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 117' ' ' GLY . 7.5 mt -98.82 -38.37 9.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 88' ' ' PRO . 11.3 p-10 -41.9 -28.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 102.32 38.72 2.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -113.37 -83.28 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.1 m -39.0 -67.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -124.0 137.7 29.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 171.33 18.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.26 155.89 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 55.58 19.12 18.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -128.22 101.81 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 139.59 58.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -134.71 169.31 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 36.2 m95 -119.37 89.34 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.031 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.45 160.77 29.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.524 ' C ' ' CD2' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -109.22 126.07 52.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 13' ' ' PRO . 46.1 mt -56.64 131.51 49.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 133' ' ' SER . 6.3 mmpt? -93.36 57.46 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.6 p -38.68 97.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -176.63 133.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -160.75 157.68 29.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.46 4.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.438 1.757 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 144.46 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.8 p -171.54 156.9 4.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.24 164.71 38.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -165.77 169.31 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.06 -169.03 21.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -172.79 158.91 4.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.12 161.27 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 148.25 8.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.4 p -175.11 167.11 3.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 0.74 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' TRP . 1.2 p-90 -171.71 107.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -171.25 -54.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.23 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.51 166.31 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.05 158.31 32.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.04 128.27 11.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -113.24 145.63 40.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB3' HD23 ' A' ' 111' ' ' LEU . 5.7 tp -139.0 113.63 9.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 4.1 t-160 -84.81 137.82 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.644 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 29.3 p90 -158.3 134.27 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -109.84 113.76 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -89.49 137.76 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 6.8 t70 -159.73 111.77 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 71.7 t80 -97.1 123.88 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.7 t0 -100.28 86.24 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 p -43.51 -35.53 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.94 -45.41 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -98.27 2.46 48.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.64 33.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 25' ' ' LYS . 3.7 mm-40 -129.12 130.73 46.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 36.5 tp -74.05 164.27 26.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 84.1 m-85 -144.53 138.76 27.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 HD21 ' A' ' 94' ' ' LEU . 47.3 t -133.47 81.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 p -95.94 -158.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 44.22 59.08 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.582 HD11 HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -85.95 124.18 32.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 40.5 mt-10 -157.59 97.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.99 154.43 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 36' ' ' VAL . 28.3 t -142.64 62.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -72.62 -56.8 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.5 p 55.14 71.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -156.56 168.64 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -77.88 148.49 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.81 172.32 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.62 75.22 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 42.18 -118.9 1.76 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.45 147.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.635 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -93.05 132.24 37.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.77 160.19 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.1 p90 -152.75 158.0 41.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 HD11 ' A' ' 33' ' ' LEU . 4.8 t -90.68 148.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 4.7 tt0 -138.51 127.09 23.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.438 ' HA2' HD23 ' A' ' 94' ' ' LEU . . . -118.27 123.09 5.6 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.412 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 7.7 t -125.58 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.541 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -129.45 150.47 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.0 112.26 13.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -113.72 154.07 27.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -48.53 -23.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' OE1' ' A' ' 86' ' ' GLU . 79.4 p -80.18 -34.6 37.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.355 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 173.16 -132.26 2.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.1 p -155.64 162.5 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.7 m -136.65 168.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 32.5 mt-10 -153.2 148.03 26.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -159.98 167.77 27.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 2.0 pp0? -162.48 167.83 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.835 HG23 HD21 ' A' ' 78' ' ' LEU . 40.6 p -98.03 -179.27 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -78.9 135.29 36.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' CB ' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -40.39 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 15.1 mmtm -145.31 177.49 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.2 ttpt -104.26 111.95 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 67' ' ' LYS . 4.1 tmm_? -37.86 124.6 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -144.81 173.3 11.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.17 -6.21 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -174.37 78.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.544 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -74.64 153.41 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.3 p -141.07 162.07 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 25.0 m-90 -128.08 156.24 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.049 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -105.35 20.24 19.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -145.78 -166.47 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.1 168.46 32.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.835 HD21 HG23 ' A' ' 63' ' ' THR . 4.0 mt -97.1 169.12 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -162.87 114.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.674 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.9 mm? -109.84 142.83 26.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.98 127.77 10.96 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -158.1 137.43 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.858 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -85.81 155.45 20.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.649 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.6 tt0 -71.55 -16.92 62.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -88.46 -3.94 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.3 mt-10 -119.46 -5.75 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.8 mt -42.48 -50.54 12.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.0 -23.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.6 p -101.71 27.65 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.92 153.65 42.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.3 m -139.86 144.27 37.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.446 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 93' ' ' THR . 0.6 OUTLIER -108.64 119.9 40.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.754 ' N ' HD22 ' A' ' 92' ' ' LEU . 4.1 m -120.4 114.56 22.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.497 HD21 HG11 ' A' ' 30' ' ' VAL . 5.1 mt -90.32 146.35 24.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.92 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -140.09 124.43 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.781 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 63.3 tp -94.59 97.99 10.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.586 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 36.5 mtp180 -93.6 167.31 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 108' ' ' ALA . 68.2 p -122.44 146.63 47.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 37.3 t -74.81 89.83 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.33 163.17 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 101' ' ' ARG . 23.8 ttm105 -55.46 -65.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -115.7 -37.57 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER 47.9 42.28 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -51.16 161.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 107' ' ' VAL . 38.3 t -62.81 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.92 HG21 HG22 ' A' ' 95' ' ' THR . 4.6 m -71.0 163.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.18 -12.22 61.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 162.4 136.1 1.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -115.33 130.01 56.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -117.15 107.04 13.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.66 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.31 145.78 28.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 112' ' ' ARG . 46.5 mt -148.47 173.02 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 1.003 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -130.52 158.59 22.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.003 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -120.31 13.35 11.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -87.83 2.87 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 69.9 29.74 70.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -112.45 -82.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.0 m -40.89 -63.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -126.17 137.03 29.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -74.92 171.46 18.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.7 mt -98.13 156.13 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 53.02 27.04 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -127.32 111.91 14.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.94 119.14 19.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -136.79 150.56 48.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 54.2 m95 -95.3 139.5 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.587 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -132.3 148.28 19.09 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.65 131.72 34.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.799 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 13' ' ' PRO . 38.9 mt -63.11 137.57 58.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -95.0 51.38 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 132' ' ' THR . 82.1 p -38.47 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.6 p -91.47 126.19 36.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.18 156.63 22.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.7 t 63.28 92.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.2 m -42.63 160.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -92.2 171.13 9.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -57.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 169.16 52.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.59 161.96 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -175.2 161.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.19 -147.77 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m 65.45 123.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -176.04 161.68 2.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 108.024 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.28 -63.96 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -94.83 176.58 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.54 154.15 71.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.03 127.75 10.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.5 mtmm -113.8 148.63 36.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HB3' HD23 ' A' ' 111' ' ' LEU . 4.9 tp -138.62 106.41 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 127' ' ' TRP . 28.6 t-80 -76.68 139.98 40.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 13.3 p90 -159.37 142.64 14.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' THR . 11.9 t -121.43 99.06 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 113' ' ' LEU . 6.0 mt -74.19 138.19 43.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 2.7 t70 -159.3 111.96 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.531 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 77.7 t80 -97.8 123.28 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.5 t0 -99.85 86.39 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.8 p -43.38 -36.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -45.66 85.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -97.65 3.23 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 39.46 31.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 25' ' ' LYS . 4.0 mm-40 -127.92 128.54 45.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 115' ' ' LEU . 28.8 tp -73.5 165.11 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 86.1 m-85 -145.93 139.59 26.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -127.37 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.2 p -88.58 179.88 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 mmt-85 61.74 53.04 3.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 48' ' ' VAL . 26.4 mt -86.59 118.78 26.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.701 ' HG2' HG22 ' A' ' 73' ' ' THR . 8.0 mt-10 -146.62 90.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.96 130.06 41.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 36' ' ' VAL . 38.0 t -121.28 80.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 38' ' ' SER . 30.3 p -107.19 -64.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.3 m 79.87 93.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -178.36 156.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -142.35 59.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.98 -52.39 2.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.62 -60.56 8.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.54 -51.14 2.36 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.2 m -50.16 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' HD12 ' A' ' 65' ' ' LEU . 4.2 m-20 -82.05 140.48 33.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.6 p -108.52 141.29 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.822 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.2 p90 -144.25 153.0 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 33' ' ' LEU . 17.6 t -91.56 144.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -134.62 127.68 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.9 121.31 5.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 60' ' ' GLU . 8.5 t -125.07 144.23 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -128.9 155.88 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.16 111.48 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -113.73 153.19 29.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -48.97 -22.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.688 HG23 ' OE1' ' A' ' 86' ' ' GLU . 76.1 p -81.14 -33.03 33.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 171.15 -138.81 5.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.3 p -149.84 153.4 36.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.851 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.2 m -128.84 164.1 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 31.2 mt-10 -150.73 151.67 32.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -163.65 165.83 22.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.35 171.34 17.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.617 HG23 HD21 ' A' ' 78' ' ' LEU . 52.8 p -106.14 174.75 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.58 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.4 mm? -41.4 153.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 2.0 mmtt -150.06 138.39 20.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 138.11 55.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 128.38 35.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -145.42 -178.71 6.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.79 -19.85 36.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -152.82 76.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.4 m -82.66 113.82 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' HG2' ' A' ' 34' ' ' GLU . 11.9 p -112.94 136.28 52.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CH2' HG23 ' A' ' 48' ' ' VAL . 24.7 m-90 -98.68 160.82 14.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -86.66 -20.16 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.2 168.89 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.01 -175.44 15.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD21 HG23 ' A' ' 63' ' ' THR . 9.3 mt -95.2 166.32 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -161.87 112.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB3' HG21 ' A' ' 59' ' ' VAL . 1.8 mm? -109.96 142.82 26.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.851 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 124.27 8.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -151.42 137.15 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.854 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.52 146.78 25.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.0 tt0 -63.8 -17.01 62.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.88 -2.48 58.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.688 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.5 mt-10 -122.4 -3.81 8.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.98 -50.79 13.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.2 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.956 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -103.86 30.27 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.04 152.98 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.781 ' O ' HG22 ' A' ' 52' ' ' VAL . 42.7 m -139.54 162.43 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 113' ' ' LEU . 2.1 tm? -126.49 124.18 39.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.461 ' N ' HD22 ' A' ' 92' ' ' LEU . 17.8 m -124.41 106.37 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.614 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.4 mt -76.3 137.48 39.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.797 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -132.91 125.56 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.738 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -100.54 98.64 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER -97.06 151.29 19.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.611 HG23 ' HB2' ' A' ' 108' ' ' ALA . 17.4 p -102.1 130.01 48.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 50.8 t -48.45 100.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -73.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 177.48 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -124.56 -42.04 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 p 52.72 41.56 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -97.41 130.51 44.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 24.4 m170 62.71 138.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.643 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 m 63.82 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 95' ' ' THR . 6.8 m -132.28 167.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -64.57 -20.26 66.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.634 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 172.96 133.11 1.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.667 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 mt-10 -108.42 135.35 49.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.21 105.85 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.656 ' O ' HD23 ' A' ' 113' ' ' LEU . 4.9 tpt180 -76.96 144.45 38.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 92' ' ' LEU . 74.0 mt -145.16 173.01 12.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.37 139.86 10.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 92' ' ' LEU . 4.8 mt -96.06 -34.6 11.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 5.9 p-10 -42.43 -28.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.61 33.53 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -110.81 -82.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.9 m -39.17 -60.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.627 HG11 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -130.74 135.04 26.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.3 Cg_endo -75.02 171.62 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.4 154.56 17.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.71 17.12 26.31 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.46 101.04 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.43 134.93 53.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -127.77 177.41 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 16' ' ' HIS . 42.6 m95 -125.77 81.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.419 ' C ' HD21 ' A' ' 111' ' ' LEU . . . -78.33 167.29 53.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 111' ' ' LEU . 29.3 tt0 -120.2 135.05 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 13' ' ' PRO . 52.9 mt -67.45 130.61 43.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' THR . 13.3 mmtt -71.66 -27.84 63.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.602 HG21 ' CG ' ' A' ' 13' ' ' PRO . 4.0 p 38.3 -146.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 m -170.87 -179.79 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -41.73 150.89 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.72 85.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.935 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 t -169.22 78.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.51 155.01 27.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 170.05 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -166.24 -61.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 40.3 p -39.41 148.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.08 161.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.71 -121.73 1.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.16 113.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.41 144.93 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 61.3 113.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 57.48 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.92 155.0 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.1 OUTLIER -108.83 142.03 40.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 130' ' ' LEU . 15.5 tp -135.49 118.45 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' HD13 ' A' ' 33' ' ' LEU . 26.1 t-80 -88.91 137.29 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.8 p90 -158.02 153.57 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' THR . 34.6 t -124.98 99.85 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 108.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.19 125.91 29.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' PHE . 19.1 t0 -150.77 125.76 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 82' ' ' LEU . 68.2 t80 -107.74 122.9 47.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' LYS . 4.4 t0 -101.94 85.57 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 24' ' ' GLN . 5.1 p -40.66 -38.6 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 108.354 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.5 mt-30 -53.14 -46.82 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.2 mttt -91.07 -20.31 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.98 33.36 19.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 3.2 mt-10 -138.19 120.97 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' HG ' ' A' ' 115' ' ' LEU . 28.8 tp -56.65 163.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' O ' ' A' ' 27' ' ' GLU . 86.4 m-85 -144.38 140.33 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 HD21 ' A' ' 94' ' ' LEU . 17.0 t -126.21 83.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' CYS . 21.4 p -93.08 178.48 5.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 57.64 61.25 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -85.86 124.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.818 ' CG ' HG22 ' A' ' 73' ' ' THR . 1.0 OUTLIER -156.58 97.63 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.18 163.42 27.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' VAL . 26.8 t -147.44 76.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.9 p -102.98 175.63 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.1 t -134.9 101.23 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -161.87 153.1 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 41' ' ' ASP . 47.4 t-80 -145.45 166.87 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 4.9 t0 55.45 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.43 88.5 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.37 107.18 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.0 m -132.04 135.23 46.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.75 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -75.38 111.41 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.575 ' O ' HD13 ' A' ' 65' ' ' LEU . 30.2 p -107.64 160.1 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.62 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 34.4 p90 -154.79 159.84 40.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 3.2 t -90.8 149.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 3.0 tt0 -137.68 129.87 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -118.44 117.73 3.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 92' ' ' LEU . 19.1 p -118.65 138.12 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -125.02 155.13 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.69 97.46 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.813 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -106.61 159.57 16.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 5.4 mtp180 -51.56 -20.79 2.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.799 HG23 ' OE1' ' A' ' 86' ' ' GLU . 67.7 p -79.84 -25.73 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' ASN . . . 156.26 -146.74 14.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.2 p -137.22 156.17 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.5 m -136.5 177.06 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 28.6 mt-10 -162.17 142.5 10.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.22 18.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -161.26 173.41 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 HD21 ' A' ' 78' ' ' LEU . 33.0 p -106.77 -175.29 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -80.92 138.52 36.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.75 HD12 ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -50.1 146.19 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' NE1' ' A' ' 74' ' ' TRP . 14.8 mmtt -142.67 139.77 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -58.93 117.31 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -42.14 128.34 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -147.34 159.9 43.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -18.27 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -154.88 75.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.59 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.5 m -74.82 149.61 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.818 HG22 ' CG ' ' A' ' 34' ' ' GLU . 73.4 p -136.53 157.57 46.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.9 m-90 -128.87 165.31 21.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 107.948 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.7 -29.7 11.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -108.87 162.99 13.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.01 170.65 13.71 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 mt -88.51 161.39 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -155.86 132.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.7 mm? -129.45 145.04 55.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.1 tm? -148.77 135.68 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.847 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -87.38 139.09 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.76 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.0 tt0 -57.0 -19.38 18.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.74 -1.68 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.799 ' OE1' HG23 ' A' ' 56' ' ' THR . 3.5 mt-10 -122.58 -3.95 8.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.0 mt -42.68 -51.19 12.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -75.02 -22.77 14.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.0 p -104.0 30.94 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.501 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -145.48 141.01 27.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 m -132.3 138.2 47.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.615 HD11 ' CD1' ' A' ' 94' ' ' LEU . 12.9 tp -99.22 136.94 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.3 m -126.22 99.19 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.4 mp -76.52 141.18 41.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.896 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -143.87 134.08 24.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.7 tp -105.9 98.21 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.62 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -89.42 165.35 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 108' ' ' ALA . 66.2 p -121.55 148.72 44.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 13.0 t -95.53 27.59 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.379 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 7.4 mtt-85 -65.27 -60.39 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 102' ' ' PHE . 10.9 m-85 -111.9 -44.36 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' HIS . 1.5 m 76.21 50.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 105' ' ' HIS . 2.5 mtt180 -63.31 77.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 168.51 146.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.604 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 m -45.19 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.896 HG21 HG22 ' A' ' 95' ' ' THR . 2.9 m -133.38 171.0 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -80.56 -22.85 40.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 177.56 128.74 1.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LEU . 18.4 tt0 -107.8 137.27 46.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.743 ' HB2' HD23 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -126.98 106.21 9.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -84.29 132.83 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 20.5 mt -135.66 173.68 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.899 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -133.39 147.21 18.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.899 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.85 34.8 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 4.6 p-10 -99.77 -23.17 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.88 38.63 5.42 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -125.75 -80.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.0 m -43.39 -57.39 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 0.2 OUTLIER -129.74 136.04 28.45 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.5 Cg_endo -74.92 171.79 17.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.51 153.79 18.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.07 24.98 37.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -131.39 100.51 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.83 134.08 56.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.401 ' NE2' ' HD2' ' A' ' 121' ' ' PRO . 2.1 mt-30 -132.22 158.89 40.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.524 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 52.3 m95 -105.2 93.64 4.8 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -86.6 173.53 45.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.643 ' N ' HD21 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -125.17 121.33 33.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 13' ' ' PRO . 8.4 mt -63.9 118.72 8.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -91.1 17.05 8.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.2 p 40.31 -142.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 t -52.55 128.46 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.94 172.51 22.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -74.97 61.67 5.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' PRO . 0.5 OUTLIER 162.83 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.12 138.97 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -168.94 155.0 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -177.4 155.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 176.05 47.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -177.8 163.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -178.31 163.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.23 160.41 30.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p -178.71 160.16 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -172.86 110.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 173.8 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 64.24 149.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.96 140.99 22.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.2 Cg_endo -74.99 126.99 10.33 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -112.55 143.09 44.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 130' ' ' LEU . 8.5 tp -139.92 106.92 5.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB1' ' A' ' 125' ' ' ALA . 31.0 t-80 -76.41 146.05 38.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.5 p90 -158.98 136.25 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 32' ' ' ARG . 19.5 t -115.88 100.9 8.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 30' ' ' VAL . 5.4 mt -74.84 141.7 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -161.24 113.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' OH ' ' N ' ' A' ' 84' ' ' GLU . 74.7 t80 -105.03 112.7 25.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -88.2 86.71 7.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.2 p -43.11 -31.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -59.05 -50.87 72.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.2 mttt -95.19 3.13 54.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 40.14 38.19 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 4.0 mm-40 -129.67 122.85 29.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 39.7 tp -71.36 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' A' ' 79' ' ' VAL . 82.4 m-85 -145.67 140.38 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.985 HG12 HD21 ' A' ' 33' ' ' LEU . 72.4 t -128.17 69.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.741 HG22 ' HA3' ' A' ' 77' ' ' GLY . 44.4 p -83.82 -155.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 8.4 mmm180 41.0 48.37 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.985 HD21 HG12 ' A' ' 30' ' ' VAL . 75.4 mt -84.52 127.96 34.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 44.2 mt-10 -158.36 111.13 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.84 138.95 30.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG12 ' O ' ' A' ' 36' ' ' VAL . 4.5 t -119.5 74.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -165.08 151.0 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.4 p -130.55 138.66 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.29 127.42 55.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -96.78 -62.29 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.22 106.88 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.77 93.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.85 148.27 16.74 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.4 m -156.55 -174.55 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.745 ' HB3' HD23 ' A' ' 65' ' ' LEU . 4.9 m-20 -57.18 136.57 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.4 p -122.09 145.09 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 41.3 p90 -151.52 154.88 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.848 HG11 HD22 ' A' ' 33' ' ' LEU . 3.4 t -91.36 143.56 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 6.3 tt0 -137.58 126.83 24.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.972 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -114.61 109.14 2.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 92' ' ' LEU . 8.4 t -103.28 137.88 40.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -123.24 153.34 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -135.08 105.76 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -113.06 172.66 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -24.03 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 86' ' ' GLU . 65.5 p -75.12 -27.65 59.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.55 -131.33 2.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 p -146.36 145.85 30.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.76 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.727 HG11 ' HG2' ' A' ' 81' ' ' PRO . 2.7 m -130.03 162.45 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 29.9 mt-10 -150.03 149.8 30.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -159.15 160.44 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -163.19 168.87 20.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 33' ' ' LEU . 70.8 p -98.46 174.52 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.03 157.34 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 45' ' ' ASP . 0.5 OUTLIER -77.87 128.99 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -122.23 150.47 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.69 143.89 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -57.01 130.91 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -145.06 156.5 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.91 -20.06 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -160.99 83.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.5 m -79.06 137.5 37.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 p -134.55 159.1 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 -127.14 179.65 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -117.33 -35.22 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -94.24 165.1 12.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.741 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -128.1 163.57 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.84 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.58 166.53 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.721 HG22 ' CD2' ' A' ' 29' ' ' PHE . 39.1 t -146.65 96.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.972 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -101.41 126.28 34.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.727 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 ' HA ' ' A' ' 87' ' ' LEU . 20.6 tp -149.42 151.57 34.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.733 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -99.01 137.44 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.54 -19.61 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.9 -8.85 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.0 mt-10 -113.36 -6.56 13.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD21 ' A' ' 82' ' ' LEU . 13.5 mt -43.12 -50.78 14.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -25.74 11.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -97.91 24.91 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -139.83 157.04 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -146.51 142.2 27.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 51' ' ' SER . 18.7 tp -104.99 152.04 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 92' ' ' LEU . 28.3 m -146.12 111.87 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 30' ' ' VAL . 14.5 mt -77.41 129.82 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.843 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.36 118.17 19.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 11.9 tp -98.6 98.14 9.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 25.0 mtp180 -94.83 157.79 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 99' ' ' CYS . 8.5 p -113.63 137.0 52.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 38.1 t -55.37 -103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.5 ' CG ' ' CD2' ' A' ' 102' ' ' PHE . 0.9 OUTLIER 58.04 171.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.23 36.05 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD2' ' CG ' ' A' ' 100' ' ' ASP . 17.8 m-85 -116.04 -44.38 2.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 t 53.4 36.68 23.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -106.5 158.64 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.0 m170 65.27 143.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 136' ' ' SER . 15.3 m -51.35 -177.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.843 HG21 HG22 ' A' ' 95' ' ' THR . 10.2 m -55.13 168.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -71.12 -24.87 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.98 132.54 2.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.779 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.6 mt-10 -109.13 119.87 40.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -114.47 146.63 40.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.686 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -113.97 146.35 40.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 112' ' ' ARG . 36.0 mt -148.95 172.79 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.842 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -129.7 155.04 20.71 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -111.66 -29.15 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 1.1 t70 -57.86 -20.72 38.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.9 67.28 1.09 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.765 HG23 ' H ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -139.28 -74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.397 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.765 ' H ' HG23 ' A' ' 118' ' ' THR . 9.7 m -54.82 -45.7 74.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 113' ' ' LEU . 2.0 m -143.03 136.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -75.03 168.28 25.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.8 mt -96.56 157.29 15.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.2 16.66 20.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.31 109.23 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -77.04 123.06 25.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.53 147.9 38.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.699 ' CH2' HG23 ' A' ' 36' ' ' VAL . 59.7 m95 -82.34 157.69 23.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.014 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.95 138.94 6.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -87.1 134.13 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 111' ' ' LEU . 54.7 mt -68.45 132.2 46.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.445 ' C ' ' HG1' ' A' ' 132' ' ' THR . 11.3 mmpt? -66.92 -33.34 75.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.567 HG21 ' CG ' ' A' ' 13' ' ' PRO . 31.4 p 43.18 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.7 m 39.03 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.57 166.6 33.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 145.98 32.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.427 ' N ' ' OG ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -46.51 143.82 2.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -47.63 113.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -170.96 152.65 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.23 151.77 23.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -158.66 168.1 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 168.53 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.35 -161.83 10.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.88 170.32 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -120.24 142.98 48.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.026 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.97 178.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.93 165.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.17 154.95 47.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.34 26.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 3.7 mtmm -109.64 148.33 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 15' ' ' LEU . 1.3 tm? -148.87 134.76 18.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.785 ' CD2' ' CD1' ' A' ' 127' ' ' TRP . 20.4 t-80 -110.14 137.44 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 5.4 p90 -148.0 150.89 34.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' THR . 42.1 t -125.55 100.91 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 108.301 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 113' ' ' LEU . 5.9 mt -75.8 139.02 41.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -161.19 116.39 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HD21 ' A' ' 87' ' ' LEU . 55.8 t80 -103.18 116.15 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 t0 -95.55 86.61 4.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ASP . 9.1 p -40.78 -36.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -55.02 -48.38 73.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 3.8 mttt -88.81 -20.41 24.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 60.35 38.64 19.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.601 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 3.4 mt-10 -139.92 124.64 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.3 tm? -68.16 139.46 56.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' N ' HD13 ' A' ' 28' ' ' LEU . 72.3 m-85 -119.44 147.76 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG22 HD22 ' A' ' 19' ' ' LEU . 40.1 t -129.8 72.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' CYS . 23.8 p -81.11 179.13 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mmt-85 55.55 82.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 63' ' ' THR . 48.6 mt -110.25 126.66 54.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 43.7 mt-10 -155.98 100.42 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 36' ' ' VAL . 5.0 t -138.73 74.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -159.52 157.35 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -121.87 129.24 52.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.13 148.17 25.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.7 m80 59.89 162.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -156.45 138.97 14.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.71 -51.93 0.83 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.53 86.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.43 141.42 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -95.93 103.74 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.8 p -86.11 145.26 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.82 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.5 p90 -154.39 152.72 30.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 33' ' ' LEU . 21.3 t -90.74 155.89 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 95' ' ' THR . 12.3 tt0 -144.59 122.16 11.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.88 9.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -124.73 131.83 53.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -121.19 155.56 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -138.83 110.61 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.78 -177.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.56 5.01 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.637 HG23 ' OE1' ' A' ' 86' ' ' GLU . 43.6 p -109.42 -17.27 13.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.08 -122.74 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 p -164.47 160.74 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.844 HG11 ' HG2' ' A' ' 81' ' ' PRO . 5.5 m -133.85 174.87 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 29.5 mt-10 -161.96 139.88 8.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLN . . . -148.23 169.73 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' CA ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -160.62 169.25 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.795 HG23 HD21 ' A' ' 78' ' ' LEU . 37.2 p -100.14 -179.37 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 132.09 37.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.3 mm? -45.4 146.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -143.28 147.39 34.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 136.57 57.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -58.03 126.28 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -143.3 151.95 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.02 -25.1 27.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 11.7 t-160 -151.52 77.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -72.32 149.31 44.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.7 p -135.45 150.59 49.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -123.31 141.91 51.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -84.39 -23.83 29.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -102.03 -168.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.37 -178.73 22.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.795 HD21 HG23 ' A' ' 63' ' ' THR . 5.3 mt -104.8 160.16 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -151.5 130.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.685 ' HB3' HG21 ' A' ' 59' ' ' VAL . 2.4 mm? -126.39 142.76 43.86 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.844 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 125.66 9.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 87' ' ' LEU . 28.4 tp -154.89 141.41 18.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -91.78 141.16 28.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.679 ' HG2' HD12 ' A' ' 87' ' ' LEU . 1.6 tt0 -54.04 -19.92 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -85.11 -15.12 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt-10 -107.02 3.37 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.4 mt -55.85 -52.18 74.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' LEU . 18.1 Cg_endo -74.97 -15.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.9 p -112.93 35.12 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -148.33 154.8 40.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.3 m -142.07 137.66 31.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 93' ' ' THR . 0.4 OUTLIER -104.4 119.88 39.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.779 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.2 m -113.87 120.44 40.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -83.24 151.4 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.851 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -149.12 132.22 16.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 28.6 tp -107.17 97.47 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 19.1 mtp85 -91.97 162.7 14.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.0 p -122.51 132.4 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.6 t -76.83 144.15 39.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -178.78 162.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -40.59 -63.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -108.27 -45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t 76.46 45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -61.34 84.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.09 -174.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.8 p -111.1 -158.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.987 HG12 ' H ' ' A' ' 109' ' ' GLY . 61.2 t -63.28 146.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -83.73 -4.36 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.987 ' H ' HG12 ' A' ' 107' ' ' VAL . . . 167.74 125.19 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.851 ' HG3' HG22 ' A' ' 95' ' ' THR . 2.7 mp0 -111.4 143.66 41.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 128' ' ' GLY . 0.2 OUTLIER -135.69 136.2 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.409 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.7 ttt180 -104.76 130.38 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 69.9 mt -129.76 172.73 11.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.646 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -128.66 148.14 17.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.646 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -102.55 -36.07 8.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.0 OUTLIER -44.63 -31.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.43 20.87 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -95.54 -84.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m -38.27 -58.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.507 HG21 HD22 ' A' ' 113' ' ' LEU . 0.9 OUTLIER -135.5 139.31 30.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.12 18.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.6 mt -98.65 155.78 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 54.88 24.35 33.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 126' ' ' GLN . . . -126.25 101.11 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.21 120.55 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.408 ' CD ' ' O ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -139.68 140.76 36.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 16.7 m95 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.528 ' C ' HD11 ' A' ' 111' ' ' LEU . . . -131.44 134.9 7.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' O ' ' HE3' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -72.8 143.32 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 110.278 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 111' ' ' LEU . 44.0 mt -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' GLU . 2.7 mttt -93.72 67.88 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 63.4 p -37.84 99.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.56 174.56 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.09 -155.81 4.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 76.7 p -167.73 69.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.3 t -126.12 -55.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.99 165.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -175.19 170.81 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.44 -178.36 27.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -175.01 163.32 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -175.36 163.64 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.53 166.52 32.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 144.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.025 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -177.04 160.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.13 -55.86 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 171.38 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.84 152.14 45.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.57 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.3 Cg_endo -75.02 123.38 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -106.77 141.66 37.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD21 ' A' ' 130' ' ' LEU . 3.6 tp -138.88 107.47 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 6.5 t-80 -79.26 141.02 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 14.4 p90 -158.38 146.02 18.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -122.18 96.9 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 30' ' ' VAL . 11.7 mt -74.02 134.88 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -156.06 115.98 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 87' ' ' LEU . 61.8 t80 -97.74 122.31 40.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -98.11 86.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.8 p -42.38 -32.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.96 -48.76 80.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' ASP . 1.7 mttt -86.91 -24.62 24.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . 66.37 40.76 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 3.9 mt-10 -141.28 137.59 32.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 29' ' ' PHE . 3.2 tm? -80.4 142.12 34.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 28' ' ' LEU . 77.8 m-85 -123.3 147.9 46.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 19' ' ' LEU . 71.5 t -132.77 69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.57 HG22 ' HA3' ' A' ' 77' ' ' GLY . 41.1 p -81.57 -165.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 47.66 61.77 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.919 ' CD1' HG21 ' A' ' 63' ' ' THR . 57.3 mt -92.44 118.56 31.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' O ' ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt-10 -147.48 91.94 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.44 146.78 46.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 3.8 t -131.97 81.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.2 p -122.98 144.74 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -114.72 166.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.04 106.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 40' ' ' HIS . 2.1 p-80 -152.59 126.94 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -80.35 121.71 26.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.8 -135.41 38.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.06 116.59 2.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.88 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.704 ' HB3' HD12 ' A' ' 65' ' ' LEU . 1.7 m-20 -111.6 110.67 21.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 65' ' ' LEU . 10.5 p -116.98 160.11 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HD1' HD11 ' A' ' 65' ' ' LEU . 41.0 p90 -157.57 156.37 31.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 33' ' ' LEU . 27.4 t -91.16 135.61 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 60' ' ' GLU . 7.2 tt0 -121.43 129.59 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.576 ' O ' HD21 ' A' ' 80' ' ' LEU . . . -123.96 112.04 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.115 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 6.3 t -113.88 144.99 42.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -124.07 162.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -139.21 111.93 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.57 169.94 8.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -63.36 -15.16 56.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.7 p -86.81 -26.16 24.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.29 -120.6 0.97 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.7 p -159.23 159.48 34.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' HG2' ' A' ' 81' ' ' PRO . 3.6 m -135.96 169.68 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' SER . 33.1 mt-10 -152.87 157.07 40.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' O ' HD13 ' A' ' 78' ' ' LEU . . . -170.97 146.27 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 5.4 mt-30 -139.21 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.919 HG21 ' CD1' ' A' ' 33' ' ' LEU . 64.6 p -106.61 -179.91 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.58 135.79 42.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 45' ' ' ASP . 4.0 mm? -50.58 148.13 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -139.28 139.29 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ARG . 4.0 ttpt -60.29 117.17 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . 6.2 tpt180 -38.23 129.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -145.33 165.65 27.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -22.86 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -156.72 77.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -71.47 153.41 42.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -146.11 144.21 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 48' ' ' VAL . 30.4 m-90 -113.56 152.17 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -99.49 24.05 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.57 -175.92 5.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.57 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -145.67 164.79 28.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD13 ' O ' ' A' ' 61' ' ' ALA . 45.2 mt -78.28 169.54 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.598 HG22 ' CD2' ' A' ' 29' ' ' PHE . 21.8 t -152.46 109.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD21 ' O ' ' A' ' 50' ' ' GLY . 0.4 OUTLIER -112.82 129.6 24.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.796 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.04 122.8 7.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 87' ' ' LEU . 10.1 tp -150.74 150.43 31.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.685 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.59 137.02 34.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.668 ' HG2' HD12 ' A' ' 87' ' ' LEU . 4.4 tt0 -54.44 -20.22 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.25 -9.81 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.685 ' HG3' ' HB3' ' A' ' 83' ' ' ALA . 5.6 mt-10 -112.4 -5.36 14.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.697 ' HA ' HD21 ' A' ' 82' ' ' LEU . 12.2 mt -42.83 -51.11 12.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.94 -25.85 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 86' ' ' GLU . 2.8 p -98.67 27.25 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -142.95 151.41 40.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -140.3 134.88 31.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.041 HD11 HD13 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -99.73 140.4 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.698 ' N ' HD22 ' A' ' 92' ' ' LEU . 19.0 m -130.54 126.85 37.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.041 HD13 HD11 ' A' ' 92' ' ' LEU . 3.6 mp -95.53 131.74 41.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.796 HG22 HG11 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -130.19 131.6 45.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 47' ' ' TYR . 43.9 tp -108.26 98.23 7.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 107' ' ' VAL . 1.7 mtt180 -98.18 145.41 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 p -102.72 125.09 49.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.9 t -68.07 96.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.07 175.51 6.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -53.14 11.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.93 -40.43 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m 68.62 43.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -79.59 -176.7 5.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.02 179.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 m -66.82 -179.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.796 HG11 HG22 ' A' ' 95' ' ' THR . 12.4 m -78.41 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HG22 ' A' ' 132' ' ' THR . . . -74.39 -15.82 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.593 ' H ' HG23 ' A' ' 107' ' ' VAL . . . -178.78 129.88 1.46 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.535 ' HG3' HG21 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -111.78 131.06 55.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.751 HD12 HD23 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -129.31 149.79 50.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.969 ' C ' HD22 ' A' ' 113' ' ' LEU . 32.2 ttt180 -130.48 134.12 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.969 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -124.42 174.78 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.24 129.51 5.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -89.95 6.9 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -93.39 -9.93 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 82.77 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 119' ' ' SER . 1.9 m -154.45 -84.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 118' ' ' THR . 4.8 m -58.77 -33.31 70.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.051 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 113' ' ' LEU . 2.0 p -143.7 126.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.2 mt -102.65 156.79 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 57.76 16.22 22.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -119.18 156.02 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.502 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -117.37 109.72 17.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.83 142.43 51.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 61.1 m95 -86.11 107.31 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -105.9 130.75 10.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.33 145.5 47.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.743 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.751 HD23 HD12 ' A' ' 111' ' ' LEU . 33.4 mt -81.28 134.56 35.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -94.89 61.11 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 108' ' ' ALA . 69.2 p -37.73 137.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m 70.48 136.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.12 175.17 14.22 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 137.94 22.29 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -79.89 -58.64 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 t -124.85 162.96 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -141.9 157.4 45.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 66.06 168.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.54 -148.45 4.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.0 167.56 23.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 0.732 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.27 171.3 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.06 -90.25 0.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t 65.24 127.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -156.19 143.55 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -42.13 159.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 43.5 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 157.17 62.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.97 124.08 8.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 127' ' ' TRP . 21.3 ttpt -107.4 146.07 32.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 16' ' ' HIS . 8.5 tp -142.52 133.78 26.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 15' ' ' LEU . 16.5 t-80 -101.87 144.26 30.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.597 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.666 ' CZ ' HD21 ' A' ' 113' ' ' LEU . 18.8 p90 -159.01 135.62 9.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 t -111.84 102.65 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -77.34 136.81 38.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -156.56 111.8 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 87' ' ' LEU . 56.7 t80 -102.29 110.5 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -88.93 86.09 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 p -42.93 -33.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.51 -49.06 71.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.6 mttt -91.62 -25.06 19.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 68.26 38.67 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -133.49 128.75 36.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.9 tm? -73.87 143.46 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.772 ' N ' HD13 ' A' ' 28' ' ' LEU . 51.6 m-85 -124.69 143.9 50.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG21 HD11 ' A' ' 92' ' ' LEU . 14.9 t -129.97 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' HA3' ' A' ' 77' ' ' GLY . 25.7 p -91.51 -177.11 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 58.94 50.47 8.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.906 HD22 HG11 ' A' ' 48' ' ' VAL . 31.0 mt -85.09 124.91 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' CG ' HG22 ' A' ' 73' ' ' THR . 30.7 mt-10 -149.98 95.67 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.89 149.29 43.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t -141.55 79.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 p -106.22 140.27 39.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 90.9 p -109.78 -45.98 3.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -40.47 112.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 157.49 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.645 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -160.86 165.47 30.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.75 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.32 -113.88 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 m 65.13 -179.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' HD12 ' A' ' 65' ' ' LEU . 14.7 m-20 -104.93 126.2 51.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.12 152.4 21.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.789 ' HB3' HD13 ' A' ' 65' ' ' LEU . 47.7 p90 -153.81 155.19 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.906 HG11 HD22 ' A' ' 33' ' ' LEU . 57.6 t -91.78 139.81 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' THR . 37.1 tt0 -128.87 137.14 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -125.52 124.9 5.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -120.43 142.16 49.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -125.55 137.4 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -124.36 97.54 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.649 ' OD1' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -97.64 179.33 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -80.44 5.77 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.59 HG23 ' CD ' ' A' ' 86' ' ' GLU . 4.5 p -112.53 -16.81 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.86 -134.02 3.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.6 p -161.88 141.86 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.948 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.928 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -126.76 155.5 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -138.88 167.73 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 62' ' ' GLN . . . -172.35 149.12 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 61' ' ' ALA . 3.6 mt-30 -136.88 164.33 28.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.683 HG23 HD21 ' A' ' 78' ' ' LEU . 72.9 p -99.97 176.13 5.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.26 133.2 43.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.9 mm? -51.16 147.4 5.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -145.44 163.72 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.02 130.93 40.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -66.05 109.57 2.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.71 -177.77 4.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.1 mm? -74.42 -10.48 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -165.89 95.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.2 m -104.17 118.59 37.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 34' ' ' GLU . 15.5 p -113.45 135.56 53.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CH2' HG23 ' A' ' 48' ' ' VAL . 28.5 m-90 -96.43 170.76 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 107.99 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -23.97 13.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.76 171.48 7.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -119.44 -163.71 12.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 63' ' ' THR . 16.1 mt -123.8 116.54 23.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -110.62 128.38 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.1 mt -126.64 141.36 40.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.928 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.95 123.35 7.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.87 131.36 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.841 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -76.24 148.64 37.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.828 ' HG2' HD12 ' A' ' 87' ' ' LEU . 3.7 tt0 -67.97 -20.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -82.28 -9.72 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.63 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.2 mt-10 -110.93 -5.83 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.828 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.3 mt -43.74 -49.93 19.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.99 -20.96 16.38 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.8 p -105.05 21.9 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -136.63 150.67 48.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.4 m -136.84 145.21 44.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.442 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.948 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -109.38 113.07 25.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' HD22 ' A' ' 92' ' ' LEU . 1.4 m -113.58 112.0 22.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -80.3 149.8 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.064 HG22 HG21 ' A' ' 107' ' ' VAL . 0.1 OUTLIER -146.84 138.04 24.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -116.88 99.51 7.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' NH1' ' OE1' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -95.1 159.41 15.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.0 p -111.47 116.27 30.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.6 t -49.25 116.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -160.46 161.92 33.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.586 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 11.5 ttm180 -42.15 -55.09 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 46.7 m-85 -154.62 99.47 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.5 59.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.5 mtp180 -42.89 -55.7 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -56.42 178.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.6 m -70.87 -174.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.064 HG21 HG22 ' A' ' 95' ' ' THR . 4.3 m -80.43 159.04 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -56.85 -24.3 50.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.603 ' CA ' HG22 ' A' ' 132' ' ' THR . . . 172.16 158.84 17.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.65 131.47 41.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -110.48 106.39 15.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.484 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -78.99 128.66 33.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.666 HD21 ' CZ ' ' A' ' 17' ' ' TYR . 74.6 mt -136.34 173.14 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.803 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -131.07 154.73 20.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.948 HD11 ' HB2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -112.65 -32.59 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -43.7 -27.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 115' ' ' LEU . . . 101.42 32.81 5.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' SER . 2.2 m -109.71 -84.0 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.803 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 118' ' ' THR . 23.5 m -38.64 -59.84 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 121' ' ' PRO . 1.5 m -133.56 138.64 31.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 120' ' ' VAL . 18.2 Cg_endo -74.96 171.9 17.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 21' ' ' TYR . 65.9 mt -96.15 156.73 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.32 29.32 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -123.05 100.34 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.318 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.93 122.11 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -139.5 157.02 46.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 14' ' ' LYS . 69.6 m95 -97.06 162.2 13.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -158.91 151.16 22.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.87 125.53 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 13' ' ' PRO . 27.5 mt -55.16 132.22 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.72 70.87 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.603 HG22 ' CA ' ' A' ' 109' ' ' GLY . 7.3 p -76.32 108.86 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 t -69.83 -60.2 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 171.16 156.73 11.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 56.1 4.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.802 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.63 104.0 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.0 t -40.57 154.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -161.12 168.67 23.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -142.2 -63.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.02 175.63 20.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.87 154.68 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -170.55 167.14 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.01 175.02 46.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 t -170.29 160.25 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -170.04 167.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 107.974 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -54.84 169.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.74 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.68 150.7 68.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HB2' HD12 ' A' ' 130' ' ' LEU . 18.4 Cg_endo -74.99 134.02 17.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 6.5 mtmm -116.57 149.55 39.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 130' ' ' LEU . 6.4 tp -141.92 113.11 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 5.5 t-80 -87.19 138.34 31.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.642 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.6 p90 -156.86 137.23 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 t -110.96 109.4 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 108.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -82.73 132.05 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -153.6 111.62 3.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 65.4 t80 -99.84 116.93 33.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.3 m-20 -94.34 86.46 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.7 p -43.18 -33.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -48.98 71.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 mttt -89.15 -33.02 17.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . 78.4 37.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 25' ' ' LYS . 1.1 mp0 -134.85 137.4 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 79' ' ' VAL . 3.1 tm? -82.13 137.21 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 31.8 m-85 -119.33 145.76 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 19' ' ' LEU . 98.4 t -136.54 85.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' HA3' ' A' ' 77' ' ' GLY . 63.5 p -95.27 -164.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 51.95 48.87 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 ' O ' ' A' ' 30' ' ' VAL . 2.0 mm? -75.18 114.35 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 9.3 mt-10 -141.31 88.25 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -76.5 124.1 27.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 36' ' ' VAL . 17.2 t -115.6 72.55 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -88.6 -167.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.8 p -156.9 87.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -154.6 158.65 40.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -48.99 121.01 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.08 167.49 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.9 111.48 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.62 109.14 1.71 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 65.63 142.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.582 ' HB2' HD12 ' A' ' 65' ' ' LEU . 3.7 m-20 -90.03 140.32 29.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -104.18 157.63 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.781 ' HB3' HD13 ' A' ' 65' ' ' LEU . 50.8 p90 -164.49 144.46 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 63' ' ' THR . 2.5 p -91.88 157.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' ALA . 16.2 tt0 -140.15 135.47 32.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.547 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . -115.37 117.48 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.539 ' O ' HD22 ' A' ' 92' ' ' LEU . 36.3 p -110.53 144.47 39.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -127.66 145.94 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . -134.2 109.76 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.75 -178.29 3.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' OE2' ' A' ' 86' ' ' GLU . 2.0 ttt180 -81.77 6.34 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.673 HG23 ' OE1' ' A' ' 86' ' ' GLU . 8.4 p -109.6 -35.37 6.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.27 -126.64 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 p -167.82 153.1 6.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 0.728 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG11 ' HG2' ' A' ' 81' ' ' PRO . 4.3 m -130.3 -174.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 59' ' ' VAL . 30.8 mt-10 -161.65 161.87 29.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . -170.97 164.33 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 1.5 pp0? -163.04 173.74 13.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.739 HG23 HG12 ' A' ' 48' ' ' VAL . 64.4 p -96.14 -174.67 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 74' ' ' TRP . . . -90.01 132.91 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 47' ' ' TYR . 3.5 mm? -40.58 147.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.95 167.33 29.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -80.25 117.78 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.63 125.88 10.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -137.18 175.11 9.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.69 -8.01 44.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 7.6 t-160 -174.87 84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 m -75.98 155.54 34.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.5 p -149.69 131.99 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.487 ' CE3' ' HB3' ' A' ' 33' ' ' LEU . 24.1 m-90 -102.12 176.76 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -117.78 17.61 14.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -136.07 -176.89 4.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.593 ' HA3' HG22 ' A' ' 31' ' ' THR . . . -135.66 176.35 20.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.6 mt -108.88 112.56 24.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -108.72 125.46 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -127.9 147.41 62.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.781 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -74.96 127.22 10.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.783 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.2 tm? -157.47 130.12 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.783 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -82.44 149.96 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.898 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.2 tt0 -66.12 -23.07 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.87 -4.35 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 56' ' ' THR . 2.8 mt-10 -116.22 -8.58 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HG2' ' A' ' 84' ' ' GLU . 13.3 mt -42.03 -50.82 10.66 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.97 -23.46 13.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.9 p -104.62 28.22 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -143.14 151.24 40.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.412 ' CA ' HD21 ' A' ' 115' ' ' LEU . 3.9 m -144.43 143.59 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -100.21 131.6 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.699 HG21 ' CA ' ' A' ' 138' ' ' GLY . 17.6 m -119.06 98.84 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.989 HD13 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -75.93 124.15 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.87 HG22 HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -127.52 119.45 26.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.787 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.1 tp -91.93 98.33 11.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' NE ' ' OE1' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -99.37 168.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 p -123.0 148.79 45.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 10.1 t -42.37 141.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -55.49 136.01 50.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.553 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.7 ttt180 -135.75 -57.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 24.2 m-85 -143.65 27.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.9 m 58.73 63.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.92 123.67 30.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -67.29 169.04 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m 63.07 -179.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 95' ' ' THR . 13.3 m -116.54 173.9 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.787 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -78.96 -8.51 58.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 107' ' ' VAL . . . 163.98 139.64 2.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 107' ' ' VAL . 28.9 mp0 -107.76 151.6 25.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -148.26 102.91 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.718 ' O ' HD23 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -86.05 147.03 26.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 112' ' ' ARG . 15.4 mt -149.99 173.5 13.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' ' 115' ' ' LEU . . . -124.63 154.71 18.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -110.72 -26.74 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.53 -26.3 5.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.91 43.44 2.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 119' ' ' SER . 2.5 m -119.58 -84.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 118' ' ' THR . 37.7 m -38.85 -51.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.596 ' CG2' HD23 ' A' ' 19' ' ' LEU . 1.4 p -138.78 136.21 18.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 120' ' ' VAL . 18.4 Cg_endo -74.94 171.51 18.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.6 mt -95.81 155.77 16.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.97 15.53 28.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -125.04 100.6 6.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.428 ' HB1' ' CE1' ' A' ' 16' ' ' HIS . . . -66.23 142.22 57.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -138.59 151.17 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.576 ' CZ3' HG23 ' A' ' 36' ' ' VAL . 39.4 m95 -99.62 85.01 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -78.58 165.87 51.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.546 ' O ' HD22 ' A' ' 111' ' ' LEU . 0.1 OUTLIER -114.29 130.79 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 13' ' ' PRO . 96.2 mt -65.65 131.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.3 mmpt? -94.34 58.58 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' LYS . 67.6 p -37.38 -65.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 90.15 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.98 169.36 41.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 57.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -130.59 111.22 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.5 115.32 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.699 ' CA ' HG21 ' A' ' 93' ' ' THR . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -176.56 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.12 157.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.18 177.91 46.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -142.96 169.59 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.95 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . 89.33 -69.25 2.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER 77.8 -61.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -59.93 159.72 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -114.68 92.33 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.96 149.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.57 152.78 53.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.67 29.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' CB ' ' HB ' ' A' ' 36' ' ' VAL . 4.3 mtmm -116.64 146.11 42.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 HD22 HD21 ' A' ' 130' ' ' LEU . 17.0 tp -137.1 121.41 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 127' ' ' TRP . 2.1 t-80 -88.55 128.79 35.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.702 ' CE2' HD11 ' A' ' 113' ' ' LEU . 36.6 p90 -158.08 142.86 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' CB ' ' HD2' ' A' ' 32' ' ' ARG . 8.5 t -120.37 112.36 18.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.318 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -89.11 120.47 30.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -144.88 110.7 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 87' ' ' LEU . 82.5 t80 -91.28 139.68 30.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 26' ' ' ALA . 8.3 t0 -118.04 85.58 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 5.3 t -41.31 -33.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -59.72 -48.46 81.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 7.7 mttt -90.24 -12.34 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 52.57 38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 81' ' ' PRO . 3.2 mt-10 -139.22 131.28 27.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 29' ' ' PHE . 2.4 tm? -75.88 145.54 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.667 ' N ' HD13 ' A' ' 28' ' ' LEU . 89.4 m-85 -125.96 141.56 51.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.926 HG22 HD12 ' A' ' 19' ' ' LEU . 64.1 t -132.99 73.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.8 p -84.34 -173.86 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HD2' ' CB ' ' A' ' 18' ' ' CYS . 36.2 mtt85 55.76 71.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 30' ' ' VAL . 1.6 mm? -97.88 121.05 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 73' ' ' THR . 38.0 mt-10 -154.03 93.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.83 148.42 46.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 36' ' ' VAL . 25.0 t -136.1 68.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 p -110.19 128.46 55.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.3 p -102.28 153.52 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 54.82 174.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.8 m170 64.16 175.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.544 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.98 115.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.43 -115.67 2.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.43 81.75 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 m -146.89 153.27 39.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' CB ' HD23 ' A' ' 65' ' ' LEU . 68.5 m-20 -77.55 138.82 39.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -121.44 163.56 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 33.7 p90 -167.14 158.51 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 33' ' ' LEU . 3.0 t -91.89 143.28 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -135.98 128.07 29.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.499 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -115.4 145.34 18.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 6.2 t -140.41 151.12 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.976 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -139.13 159.52 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.42 112.74 8.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.68 177.1 4.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.96 -2.42 27.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -99.92 -29.48 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.2 -123.69 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.5 p -160.94 150.66 17.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.856 HG11 ' HG2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -132.39 159.27 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' CG ' ' OG ' ' A' ' 51' ' ' SER . 20.5 mt-10 -146.71 162.26 38.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -168.96 165.76 11.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.508 ' CA ' HD22 ' A' ' 78' ' ' LEU . 4.0 pt20 -160.47 170.62 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 78' ' ' LEU . 37.0 p -99.05 -175.17 2.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.02 139.66 35.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -54.34 138.02 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 13.9 mmtt -132.63 168.08 18.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.95 130.32 36.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 127.29 31.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -146.24 175.26 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -14.68 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -163.48 87.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 23.2 m -94.11 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 34' ' ' GLU . 28.4 p -136.73 155.68 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.451 ' CD1' ' HG3' ' A' ' 66' ' ' LYS . 24.0 m-90 -119.4 174.27 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -107.28 -33.23 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -108.8 167.2 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -115.79 -163.71 13.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 63' ' ' THR . 57.9 mt -106.59 157.97 17.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.5 t -141.12 131.06 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.4 mt -138.85 131.64 15.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.856 ' HG2' HG11 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 121.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -151.2 133.74 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.832 ' N ' HD22 ' A' ' 82' ' ' LEU . . . -79.66 152.19 30.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.86 ' HG2' HD12 ' A' ' 87' ' ' LEU . 2.9 tt0 -70.41 -21.08 62.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -82.57 -3.2 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.62 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.8 mt-10 -118.48 -7.11 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.86 HD12 ' HG2' ' A' ' 84' ' ' GLU . 12.4 mt -42.0 -50.84 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 18.3 Cg_endo -75.01 -22.42 14.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' GLU . 3.9 p -103.89 24.43 11.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.418 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . -141.84 151.15 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 45.0 m -136.8 152.77 50.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.821 HD12 ' H ' ' A' ' 93' ' ' THR . 10.7 tp -109.12 148.39 30.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.821 ' H ' HD12 ' A' ' 92' ' ' LEU . 1.8 m -142.75 120.66 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -96.56 149.36 21.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -148.31 133.85 18.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -110.33 97.81 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -90.92 153.1 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.1 p -113.04 120.96 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 45' ' ' ASP . 44.4 t -52.89 102.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.25 -176.85 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -52.45 -56.47 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -117.01 -36.46 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.4 m 65.32 52.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -69.29 171.71 8.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -40.73 112.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.33 -62.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 t 64.23 124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 96' ' ' LEU . . . -81.75 -10.84 59.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.446 ' C ' HD22 ' A' ' 130' ' ' LEU . . . 175.45 146.98 6.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.084 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.588 ' HG3' HG22 ' A' ' 95' ' ' THR . 0.7 OUTLIER -129.05 127.15 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.29 106.32 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.998 ' C ' HD22 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -96.72 138.71 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.998 HD22 ' C ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -128.45 173.88 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' H ' ' CG1' ' A' ' 120' ' ' VAL . . . -120.95 136.64 11.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.91 9.19 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.29 -18.45 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 64.96 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 119' ' ' SER . 1.6 m -140.92 -81.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 118' ' ' THR . 3.9 m -53.78 -37.36 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 113' ' ' LEU . 1.7 p -143.52 129.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.2 mt -98.71 154.23 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . 58.16 17.24 29.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -127.93 102.72 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.6 135.71 56.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HG3' HG23 ' A' ' 120' ' ' VAL . 14.2 mm-40 -126.96 143.3 51.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 16' ' ' HIS . 26.1 m95 -91.96 61.56 4.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.13 152.3 49.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.09 126.35 39.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.764 HD21 HD22 ' A' ' 15' ' ' LEU . 29.0 mt -56.04 137.58 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' THR . 1.6 mmpt? -99.31 59.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.368 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 108' ' ' ALA . 80.8 p -37.79 149.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 p 55.92 -177.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.51 -175.31 18.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.4 p -62.6 -57.52 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t 63.49 121.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 0 0 . 1 stop_ save_